Known targets — ChEMBL curated mechanism
ADRA2AADRA2BADRA2CADRB2AGTR1AVPR1AAVPR1BAVPR2BDKRB2CALCRCHRNA3CHRNB4ESR1ESR2GHSRGNRHRGSC1HSPA8MALT1MC1RMC4RNOS1NOS2NOS3OPRK1OXTRRAMP1RAMP2RAMP3SCN5ASSTR1SSTR2SSTR3SSTR4SSTR5dacAdacBdacCfolPftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Pentane. 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 | |
|---|---|---|---|---|
| Pentane SCHEMBL2343100 | 1.00 | TSHR (0.54) | — | |
| Pentane SCHEMBL27453773 | 1.00 | TSHR (0.54) | — | |
| Pentane SCHEMBL28750380 | 0.96 | TSHR (0.50) | — | |
| Pentane SCHEMBL28221383 | 0.93 | CES1 (0.52) | — | |
| Hexane SCHEMBL18060000 | 0.92 | AKR1B1 (0.61) | — | |
| Hexane SCHEMBL7487068 | 0.92 | AKR1B1 (0.61) | — | |
| Hexane SCHEMBL6982515 | 0.92 | AKR1B1 (0.61) | — | |
| Hexane SCHEMBL6562722 | 0.92 | AKR1B1 (0.61) | — | |
| Hexane SCHEMBL8125919 | 0.92 | AKR1B1 (0.61) | — | |
| Hexane SCHEMBL10688418 | 0.92 | AKR1B1 (0.61) | — |
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 43 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101611031-B | 3,4-dicarboxy-1,2,3,4-tetrahydro-6-t-butyl-1-naphthalene succinic dianhydride and liquid crystal aligning agent comprising polyimide resin prepared from the dianhydride | CHEIL IND INC KR | 2013-06-12 | — | — | CN | claimed |
| CN-101611031-A | 3,4-dicarboxyl-1,2,3, the 4-tetrahydrochysene-6-tertiary butyl-1-naphthalene succinic dianhydride and comprise liquid crystal aligning agent by the polyimide of this dianhydride preparation | CHEIL IND INC (KR) | 2009-12-23 | — | — | CN | claimed |
| CN-112973467-B | Preparation method of composite nanofiltration membrane and composite nanofiltration membrane | 欧美新材料(浙江)有限公司 | 2022-12-13 | — | — | CN | disclosed |
| CN-112973467-A | Preparation method of composite nanofiltration membrane and composite nanofiltration membrane | 欧美新材料(浙江)有限公司 | 2021-06-18 | — | — | CN | disclosed |
| CN-109503617-A | A kind of preparation method of 3- carboxymethyl -1,2,4- pentamethylene tricarboxylic acids -1,4:2,3- dianhydride | 青岛科技大学 | 2019-03-22 | — | — | CN | disclosed |
| WO-2018144717-A1 | NEW PLEUROMUTILIN ANTIBIOTIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE AND SYNTHESIS | YALE UNIVERSITY (US) | 2018-08-09 | — | — | WO | disclosed |
| CN-103705519-A | Cyclic triazo and diazo sodium channel blockers | UNIV GREENWICH | 2014-04-09 | — | — | CN | disclosed |
| CN-101918378-B | Cyclic azide and sodium diazoxide channel blockers | UNIV GREENWICH | 2013-12-04 | — | — | CN | disclosed |
| CN-101611031-B | 3,4-dicarboxy-1,2,3,4-tetrahydro-6-t-butyl-1-naphthalene succinic dianhydride and liquid crystal aligning agent comprising polyimide resin prepared from the dianhydride | CHEIL IND INC KR | 2013-06-12 | — | — | CN | disclosed |
| CN-1737000-B | Polymer, chemical amplification erosion resistant composition and forming method | MITSUBISHI RAYON CO | 2013-04-24 | — | — | CN | disclosed |
| CN-101918378-A | Cyclic azide and sodium diazoxide channel blockers | UNIV GREENWICH | 2010-12-15 | — | — | CN | disclosed |
| WO-1992021643-A1 | AZULENIC RETINOID COMPOUNDS, COMPOSITIONS AND METHODS | UNIVERSITY OF HAWAII (US) | 1992-12-10 | — | — | WO | disclosed |
| EP-0435223-A2 | Thienobenzoxepin- and naphthothiophene-derivatives, a process and intermediates for their preparation and their use as medicaments | HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) | 1991-07-03 | — | — | EP | disclosed |
| US-5006536-A | Thienobenzoxepins and analgesic compositions thereof | HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) | 1991-04-09 | — | — | US | disclosed |
| US-5002960-A | Viricides for combating picornaviruses | STERLING DRUG, INC. (US) | 1991-03-26 | — | — | US | disclosed |
| US-4939267-A | Viricides | STERLING DRUG INC. (US) | 1990-07-03 | — | — | US | disclosed |
| US-4866041-A | HYPERSENSITIVE TO PRESENCE OF CANCER CELLS; GALACTOPYRANOSIDES | CHEMBIOMED, LTD. (CA) | 1989-09-12 | — | — | US | disclosed |
| US-4843087-A | OXAZOLINYL COMPOUNDS; RHINOVIRUSES AND PICORNAVIRUSES | STERLING DRUG INC. (US) | 1989-06-27 | — | — | US | disclosed |
| US-4335142-A | MICROBIOCIDES | UNIROYAL, INC. (US) | 1982-06-15 | — | — | US | disclosed |
| US-4322416-A | ENZYME INHIBITORS OF OXIDOREDUCTASES; ANTIESTROGENS; ANTIFERTILITY AGENTS | MERRELL DOW PHARMACEUTICALS INC. (US) | 1982-03-30 | — | — | US | disclosed |