⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
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 | |
|---|---|---|---|---|
| SCHEMBL2495564 | 0.80 | MAPT (0.42) | — | |
| SCHEMBL27901398 | 0.79 | ALDH1A1 (0.34) | — | |
| SCHEMBL653948 | 0.78 | POLB (0.60) | — | |
| SCHEMBL29449705 | 0.78 | POLB (0.60) | — | |
| SCHEMBL3663376 | 0.77 | MEN1 (0.35) | — | |
| SCHEMBL30484919 | 0.76 | POLB (0.57) | — | |
| Hydrochloric Acid SCHEMBL30384582 | 0.76 | MAPT (0.57) | — | |
| SCHEMBL2493433 | 0.74 | MAPT (0.46) | — | |
| SCHEMBL5098425 | 0.72 | — | — | |
| SCHEMBL28981714 | 0.72 | — | — |
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 229 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114716386-A | Novel exosome inhibitor and preparation method thereof | 北京和理咨询有限公司 | 2022-07-08 | — | — | CN | claimed |
| US-9809822-B2 | Triptolide derivatives and preparation method and use thereof | HONG KONG BAPTIST UNIVERSITY (HK) | 2017-11-07 | — | — | US | claimed |
| US-20160362691-A1 | TRIPTOLIDE DERIVATIVES AND PREPARATION METHOD AND USE THEREOF | HONG KONG BAPTIST UNIVERSITY (HK) | 2016-12-15 | — | — | US | claimed |
| EP-1836199-A1 | THIAZOLE AND ISOTHIAZOLE DERIVATIVES THAT MODULATE THE ACTIVITY OF CDK, GSK AND AURORA KINASES | Astex Therapeutics Limited (GB) | 2007-09-26 | — | — | EP | claimed |
| WO-2006070192-A1 | THIAZOLE AND ISOTHIAZOLE DERIVATIVES THAT MODULATE THE ACIVITY OF CDK, GSK AND AURORA KYNASES | ASTEX THERAPEUTICS LIMITED (GB) | 2006-07-06 | — | — | WO | claimed |
| EP-1194428-B1 | HETEROARYL PROTEASE INHIBITORS AND DIAGNOSTIC IMAGING AGENTS | DIMENSIONAL PHARM INC (US) | 2003-09-17 | — | — | EP | claimed |
| EP-1250332-A1 | INHIBITORS OF INTERLEUKIN 5 GENE EXPRESSION | Abbott Laboratories (US) | 2002-10-23 | — | — | EP | claimed |
| US-6420397-B1 | Heteroaryl protease inhibitors and diagnostic imaging agents | 3-DIMENSIONAL PHARMACEUTICALS, INC. | 2002-07-16 | — | — | US | claimed |
| US-RE37781-E1 | VIRICIDES, PROTEASE INHIBITOR | DUPONT PHARMACEUTICALS COMPANY | 2002-07-02 | — | — | US | claimed |
| EP-1194428-A1 | HETEROARYL PROTEASE INHIBITORS AND DIAGNOSTIC IMAGING AGENTS | 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) | 2002-04-10 | — | — | EP | claimed |
| US-5616578-A | Method of treating human immunodeficiency virus infection using a cyclic protease inhibitor in combination with a reverse transcriptase inhibitor | THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) | 1997-04-01 | — | — | US | claimed |
| US-5610294-A | VIRAL TREATMENT | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1997-03-11 | — | — | US | claimed |
| WO-1996040652-A1 | METHOD FOR PREPARING N-MONOSUBSTITUTED AND N,N'-DISUBSTITUTED UNSYMMETRICAL CYCLIC UREAS | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1996-12-19 | — | — | WO | claimed |
| US-5559110-A | HIV ANTIVIRAL, GOOD SYSTEMIC ABSORPTION ADMINISTERED BY MOUTH | THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) | 1996-09-24 | — | — | US | claimed |
| US-5543517-A | VIRICIDES | THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) | 1996-08-06 | — | — | US | claimed |
| US-5532357-A | Method for preparing N-monosubstituted and N,N'-disubstituted unsymmetrical cyclic ureas | THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) | 1996-07-02 | — | — | US | claimed |
| EP-0691961-A1 | SUBSTITUTED CAPROLACTAMS AND DERIVATIVES THEREOF USEFUL FOR TREATMENT OF HIV DISEASE | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1996-01-17 | — | — | EP | claimed |
| EP-0686151-A1 | SUBSTITUTED CYCLIC CARBONYLS AND DERIVATIVES THEREOF USEFUL AS RETROVIRAL PROTEASE INHIBITORS | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1995-12-13 | — | — | EP | claimed |
| WO-1994022840-A1 | SUBSTITUTED CAPROLACTAMS AND DERIVATIVES THEREOF USEFUL FOR TREATMENT OF HIV DISEASE | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1994-10-13 | — | — | WO | claimed |
| WO-1994019329-A1 | SUBSTITUTED CYCLIC CARBONYLS AND DERIVATIVES THEREOF USEFUL AS RETROVIRAL PROTEASE INHIBITORS | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1994-09-01 | — | — | WO | claimed |