⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1650499 | 0.80 | — | — | |
| SCHEMBL206965 | 0.67 | — | — | |
| SCHEMBL19996958 | 0.67 | — | — | |
| SCHEMBL18873463 | 0.65 | CYP2A6 (0.35) | — | |
| SCHEMBL11977449 | 0.64 | — | — | |
| SCHEMBL18433380 | 0.64 | PNMT (0.32) | — | |
| SCHEMBL4101237 | 0.64 | — | — | |
| SCHEMBL12099054 | 0.62 | — | — | |
| SCHEMBL28961176 | 0.62 | — | — | |
| SCHEMBL13074350 | 0.61 | TAAR1 (0.32) | — |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3219709-A1 | INTERMEDIATE COMPOUND OF MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS | Vertex Pharmaceuticals Incorporated (US) | 2017-09-20 | — | — | EP | disclosed |
| EP-1635839-B1 | BENZO[4,5]THIENO[2,3-D]PYRIMIDIN-4-ONES AND THEIR USE IN THERAPY | ABBOTT HEALTHCARE PRODUCTS BV (NL) | 2010-09-01 | — | — | EP | disclosed |
| EP-1828197-B1 | NOVEL SUBSTITUTED THIOPHENEPYRIMIDINONE DERIVATIVES AS INHIBITORS OF 17ß-HYDROXYSTEROID DEHYDROGENASE | SOLVAY PHARM GMBH (DE) | 2009-05-13 | — | — | EP | disclosed |
| US-7524853-B2 | Compounds and their use in therapy | SOLVAY PHARMACEUTICALS B.V. (NL) | 2009-04-28 | — | — | US | disclosed |
| US-7465739-B2 | Compounds and their use in therapy | SOLVAY PHARMACEUTICALS B.V. (NL) | 2008-12-16 | — | — | US | disclosed |
| EP-1828197-A1 | NOVEL SUBSTITUTED THIOPHENEPYRIMIDINONE DERIVATIVES AS INHIBITORS OF 17ß-HYDROXYSTEROID DEHYDROGENASE | Solvay Pharmaceuticals GmbH (DE) | 2007-09-05 | — | — | EP | disclosed |
| WO-2006063615-A1 | NOVEL SUBSTITUTED THIOPHENEPYRIMIDINONE DERIVATIVES AS INHIBITORS OF 17β-HYDROXYSTEROID DEHYDROGENASE | SOLVAY PHARMACEUTICALS GMBH (DE) | 2006-06-22 | — | — | WO | disclosed |
| EP-1635839-A2 | BENZO[4,5]THIENO[2,3-D]PYRIMIDIN-4-ONES AND THEIR USE IN THERAPY | Solvay Pharmaceuticals B.V. (NL) | 2006-03-22 | — | — | EP | disclosed |
| US-20050176742-A1 | Novel compounds and their use in therapy | SOLVAY PHARMACEUTICALS B.V. (NL) | 2005-08-11 | — | — | US | disclosed |
| WO-2005032527-A2 | BENZO (4, 5) THIENO (2, 3-D) PYRIMIDIN-4-ONES AND THEIR USE IN THERAPY | SOLVAY PHARMACEUTICALS B.V. (NL) | 2005-04-14 | — | — | WO | disclosed |
| US-20050038053-A1 | Novel compounds and their use in therapy | SOLVAY PHARMACEUTICALS B.V. (NL) | 2005-02-17 | — | — | US | disclosed |