⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL446252 | 0.75 | ALDH1A1 (0.45) | — | |
| SCHEMBL5098432 | 0.73 | — | — | |
| (Z)-1,2-Diphenylethene SCHEMBL5492329 | 0.73 | MAOB (0.58) | — | |
| SCHEMBL12719046 | 0.72 | MAOB (0.50) | — | |
| SCHEMBL17995260 | 0.72 | MAOB (0.50) | — | |
| SCHEMBL1507418 | 0.72 | MAOB (0.50) | — | |
| SCHEMBL27540893 | 0.71 | — | — | |
| SCHEMBL4159814 | 0.71 | — | — | |
| SCHEMBL196784 | 0.70 | KCNN4 (0.38) | — | |
| SCHEMBL11237250 | 0.70 | ALDH1A1 (0.36) | — |
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 340 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 |
| US-20080312223-A1 | Thiazole And Isothiazole Derivatives That Modulate The Activity Of CDK, GSK And Aurora Kinases | ASTEX THERAPEUTICS LIMITED (GB) | 2008-12-18 | — | — | 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-1503997-A1 | CYSTEINE PROTEASE INHIBITORS | AXYS PHARMACEUTICALS, INC. (US) | 2005-02-09 | — | — | EP | claimed |
| WO-2003097617-A1 | CYSTEINE PROTEASE INHIBITORS | AXYS PHARMACEUTICALS, INC. (US) | 2003-11-27 | — | — | WO | claimed |
| EP-1194428-B1 | HETEROARYL PROTEASE INHIBITORS AND DIAGNOSTIC IMAGING AGENTS | DIMENSIONAL PHARM INC (US) | 2003-09-17 | — | — | EP | claimed |
| WO-2002067654-A3 | 6-SUBSTITUTED PYRAZOLO[3,4-D]PYRIMIDIN-4-ONES USEFUL AS CYCLIN DEPENDENT KINASE INHIBITORS | BRISTOL MYERS SQUIBB PHARMA CO (US) | 2002-10-31 | — | — | WO | 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 |
| US-4839352-A | ANTIBIOTICS | MERCK & CO., INC. (US) | 1989-06-13 | — | — | US | claimed |
| US-4342869-A | Cephalosporin antibiotics | MERCK & CO., INC. (US) | 1982-08-03 | — | — | US | claimed |
| US-4338437-A | Cephalosporin antibiotics | MERCK & CO., INC. (US) | 1982-07-06 | — | — | US | claimed |
| US-4338438-A | Cephalosporin antibiotics | MERCK & CO., INC. (US) | 1982-07-06 | — | — | US | claimed |
| US-4310459-A | Process for producing carbamoyl substituted penams and carbamoyl substituted cephams from penicillin sulfoxide esters | BRISTOL-MYERS COMPANY (US) | 1982-01-12 | — | — | US | claimed |
| US-4297488-A | 7-α-Methoxy cephalosporins | MERCK & CO., INC. (US) | 1981-10-27 | — | — | US | claimed |
| US-3987040-A | 3-SUBSTITUTED METHYL-7-ACYLAMINO-7-METHOXY-2-CEPHEM-4-CARBOXYLIC ACID AND ITS ESTERS | MERCK & CO., INC. (US) | 1976-10-19 | — | — | US | claimed |