Known targets — ChEMBL curated mechanism
ABCC8ACEADORA1ADORA2AADORA2BADORA3ALDH5A1ALOX5ALOX5APATP4AATP4BBRAFCA1CA12CA2CA4CYSLTR1DHFRDPEP1EDNRAEDNRBESR2F10FDPSFGF1GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTGNRHRGSC1HMGCRIMPDH1IMPDH2KCNJ11LY96NOD2NR3C1NS3NS4ANS5bP2RY1P2RY12P2RY2P2RY4P2RY6PBP2XPDE3APDE3BPDE4APDE4BPDE4CPDE4DPDK1PDK2PDK3PDK4PPARGPPATPTGIRPTGS1PTGS2RAF1RYR1RYR3SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASERPINC1SLC12A1SLC12A3SYKTHRATHRBTLR3TLR4TLR9TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYMSVKORC1XDHblablaIMP-1blaOXA-33blaOXA-58blaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAfolPfolP1ftsIfusAgaggyrAgyrBmecAmrcAmrcBmrdApbp1apbp1bpbp2pbp2apbp2bpbp3pbp4pbpApbpBpbpCpbpFpolponBrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpoArpoBrpoCrpoZrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL5146877 | 0.93 | — | — | |
| SCHEMBL11451789 | 0.90 | — | — | |
| SCHEMBL90785 | 0.69 | — | — | |
| SCHEMBL8623348 | 0.67 | — | — | |
| Hydrochloric Acid SCHEMBL28181771 | 0.65 | — | — | |
| SCHEMBL5183894 | 0.64 | — | — | |
| Lithium Ion SCHEMBL3369260 | 0.62 | — | — | |
| SCHEMBL238147 | 0.62 | ALDH1A1 (0.46) | — | |
| SCHEMBL1981165 | 0.60 | — | — | |
| SCHEMBL8204349 | 0.57 | — | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 133 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114907560-A | Perfluoropolyether-containing silane compound, preparation method, surface treatment agent and article | 深圳德诚达光电材料有限公司 | 2022-08-16 | — | — | CN | claimed |
| EP-1594835-A4 | METHOD OF PREPARATION OF HETEROCYCLIC MOLECULES WITH PHARMACEUTICAL PHARMACEUTICAL EXCIPIENT COSMECEUTICAL AGROCHEMICAL AND INDUSTRIAL USES | AUSPEX PHARMACEUTICALS INC (US) | 2007-05-02 | — | — | EP | claimed |
| EP-1594835-A2 | METHOD OF PREPARATION OF HETEROCYCLIC MOLECULES WITH PHARMACEUTICAL PHARMACEUTICAL EXCIPIENT COSMECEUTICAL AGROCHEMICAL AND INDUSTRIAL USES | Auspex Pharmaceuticals, Inc. (US) | 2005-11-16 | — | — | EP | claimed |
| WO-2004064745-A2 | METHOD OF PREPARATION OF HETEROCYCLIC MOLECULES WITH PHARMACEUTICAL PHARMACEUTICAL EXCIPIENT COSMECEUTICAL AGROCHEMICAL AND INDUSTRIAL USES | AUSPEX PHARMACEUTICALS, INC. (US) | 2004-08-05 | — | — | WO | claimed |
| EP-0502439-B1 | Purification of 6-Aminocapronitrile | DU PONT (US) | 1994-09-14 | — | — | EP | claimed |
| EP-0502439-A1 | Purification of 6-Aminocapronitrile | E.I. DU PONT DE NEMOURS AND COMPANY (US) | 1992-09-09 | — | — | EP | claimed |
| US-5133838-A | PURIFICATION OF 6-AMINOCAPRONITRILE | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 1992-07-28 | — | — | US | claimed |
| JP-10045660-A | — | — | None | — | — | JP | disclosed |
| US-20260092066-A1 | NOVEL SYNTHETIC OPTIONS TOWARDS THE MANUFACTURE OF (6R,10S)-10-{4-[5-CHLORO-2-(4-CHLORO-1H-1,2,3-TRIAZOL-1-YL)PHENYL]-6-OXO-1(6H)-PYRIMIDINYL}- 1-(DIFLUOROMETHYL)-6-METHYL-1,4,7,8,9,10-HEXAHYDRO-11,15-(METHENO)PYRAZOLO[4,3-B][1,7]DIAZACYCLOTETRADECIN-5(6H)-ONE | BRISTOL MYERS SQUIBB CO (US) | 2026-04-02 | — | — | US | disclosed |
| US-12378246-B2 | Synthetic options towards the manufacture of (6R,10S)-10-{4-[5-chloro-2-(4-chloro-1H-1,2,3-triazol-1-yl)phenyl]-6-oxo-1(6H)-pyrimidinyl} - 1-(difluoromethyl)-6-methyl-1,4,7,8,9,10-hexahydro-11,15-(metheno)pyrazolo[4,3-b][1,7]diazacyclotetradecin-5(6H)-one | BRISTOL-MYERS SQUIBB COMPANY (US) | 2025-08-05 | — | — | US | disclosed |
| CN-114375290-B | Novel synthetic options for preparing compounds | 百时美施贵宝公司 | 2024-11-29 | — | — | CN | disclosed |
| US-20230416252-A1 | PROCESS TOWARD THE MANUFACTURE OF (6R,10S)-10-{4-[5-CHLORO-2-(4-CHLORO-1H-1,2,3-TRIAZOL-1-YL)PHENYL]-6-OXO-1(6H)-PYRIMIDINYL}- 1-(DIFLUOROMETHYL)-6-METHYL-1,4,7,8,9,10-HEXAHYDRO-11,15-(METHENO)PYRAZOLO[4,3-B][1,7]DIAZACYCLOTETRADECIN-5(6H)-ONE | JANSSEN PHARMACEUTICA NV (BE) | 2023-12-28 | — | — | US | disclosed |
| EP-3953334-B1 | NOVEL SYNTHETIC OPTIONS TOWARDS THE MANUFACTURE OF (6R,10S)-10- {4-[5-CHLORO-2-(4-CHLORO-1H-1,2,3-TRIAZOL-1-YL)PHENYL]-6-OXO-1(6H)- PYRIMIDINYL}- 1-(DIFLUOROMETHYL)-6-METHYL-1,4,7,8,9,10-HEXAHYDRO-11,15 -(METHENO)PYRAZOLO [4,3-B] [1,7] DIAZACYCLOTETRADECIN-5(6H)-ONE | BRISTOL MYERS SQUIBB CO (US) | 2023-11-22 | — | — | EP | disclosed |
| US-4285873-A | ANTIANDROGENS | HOFFMANN-LA ROCHE INC. (US) | 1981-08-25 | — | — | US | disclosed |
| US-4281189-A | Sulfonamide intermediates for adrenergic blocking agents | HOFFMANN-LA ROCHE INC. (US) | 1981-07-28 | — | — | US | disclosed |
| US-4278608-A | Adrenergic blocking agents | HOFFMANN-LA ROCHE INC. (US) | 1981-07-14 | — | — | US | disclosed |
| US-4247710-A | THE 3'-HYDROXY, -BENZYLOXY, OR -HALO DERIVATIVES OF METHYL 4-((2'-HYDROXYPROPYL)OXY)PHENYLACETATE | HOFFMANN-LA ROCHE INC. (US) | 1981-01-27 | — | — | US | disclosed |
| US-4202978-A | ADRENERGIC BLOCKING AGENTS, HYPOTENSIVE, ANTISECRETORY, SPASMOLYTIC | HOFFMANN-LA ROCHE INC. (US) | 1980-05-13 | — | — | US | disclosed |
| US-3987188-A | Hexahydro-dibenzo[b,d]pyran-9-ones as sedative drugs | ELI LILLY AND COMPANY (US) | 1976-10-19 | — | — | US | disclosed |
| US-3944673-A | Hexahydro-dibenzo[b,d]pyran-9-ones as analgesic drugs | ELI LILLY AND COMPANY (US) | 1976-03-16 | — | — | US | disclosed |