⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL28689782 | 0.98 | TAAR1 (0.42) | — | |
| SCHEMBL6034785 | 0.88 | MAOB (0.49) | — | |
| SCHEMBL29292220 | 0.82 | — | — | |
| SCHEMBL9601505 | 0.78 | — | — | |
| SCHEMBL4256622 | 0.78 | — | — | |
| SCHEMBL9602813 | 0.78 | — | — | |
| SCHEMBL4131046 | 0.78 | — | — | |
| SCHEMBL8107641 | 0.75 | HDAC3 (0.46) | — | |
| SCHEMBL29280386 | 0.75 | MAOB (0.49) | — | |
| SCHEMBL3905953 | 0.74 | L3MBTL1 (0.52) | — |
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 15 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-104159904-B | Thienopyrimidine compounds | 霍夫曼-拉罗奇有限公司 | 2016-12-14 | — | — | CN | claimed |
| CN-110003219-A | Pyrazolo [1,5A] pyrimidine and thieno [3,2B] pyrimidine derivatives as IRAK4 regulator | 弗·哈夫曼-拉罗切有限公司 | 2019-07-12 | — | — | CN | disclosed |
| CN-105367577-B | Pyrazolo [1,5A] pyrimidine and thieno [3,2B] pyrimidine derivatives as IRAK4 regulator | 弗·哈夫曼-拉罗切有限公司 | 2019-04-23 | — | — | CN | disclosed |
| CN-104159904-B | Thienopyrimidine compounds | 霍夫曼-拉罗奇有限公司 | 2016-12-14 | — | — | CN | disclosed |
| EP-1268431-A1 | 3-CYANOQUINOLINES,3-CYANO-1,6-NAPHTHYRIDINES, AND 3-CYANO-1,7-NAPHTHYRIDINES AS PROTEIN KINASE INHIBITORS | Wyeth (US) | 2003-01-02 | — | — | EP | disclosed |
| WO-2001072711-A1 | 3-CYANOQUINOLINES,3-CYANO-1,6-NAPHTHYRIDINES, AND 3-CYANO-1,7-NAPHTHYRIDINES AS PROTEIN KINASE INHIBITORS | WYETH (US) | 2001-10-04 | — | — | WO | disclosed |
| EP-0326222-B1 | Process for preparing substituted imidazoline fabric conditioning compounds | PROCTER & GAMBLE (US) | 1995-04-12 | — | — | EP | disclosed |
| EP-0232623-B1 | 1-CARBACEPHALOSPORIN ANTIBIOTICS | ELI LILLY AND COMPANY (US) | 1993-03-17 | — | — | EP | disclosed |
| US-5154841-A | Cyclizing a polyamine with a fatty acid, ester, acyl halide or anhydride, followed by catalytic esterification with fatty acid ester or glycerides; titanium or tin alkoxides, salts, halides or alkyl halide as catalysts | THE PROCTER & GAMBLE COMPANY (US) | 1992-10-13 | — | — | US | disclosed |
| US-5013846-A | Process for preparing substituted imidazoline fabric conditioning compounds | THE PROCTER & GAMBLE COMPANY (US) | 1991-05-07 | — | — | US | disclosed |
| EP-0375029-A2 | Process for preparing substituted imidazoline fabric conditioning compounds | THE PROCTER & GAMBLE COMPANY (US) | 1990-06-27 | — | — | EP | disclosed |
| US-4892942-A | 1-CARBA (DETHIA)CEPHALOSPORINS | ELI LILLY AND COMPANY (US) | 1990-01-09 | — | — | US | disclosed |
| EP-0326222-A2 | Process for preparing substituted imidazoline fabric conditioning compounds | THE PROCTER & GAMBLE COMPANY (US) | 1989-08-02 | — | — | EP | disclosed |
| US-4791106-A | 1-Carbacephalosporin antibiotics | ELI LILLY AND COMPANY (US) | 1988-12-13 | — | — | US | disclosed |
| EP-0232623-A1 | 1-Carbacephalosporin antibiotics | ELI LILLY AND COMPANY (US) | 1987-08-19 | — | — | EP | disclosed |