⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6468714 | 0.86 | — | — | |
| SCHEMBL11703212 | 0.81 | — | — | |
| SCHEMBL6436175 | 0.78 | — | — | |
| SCHEMBL6271444 | 0.74 | — | — | |
| SCHEMBL362180 | 0.74 | HSD17B10 (0.31) | — | |
| SCHEMBL2088240 | 0.73 | — | — | |
| SCHEMBL60185 | 0.73 | — | — | |
| SCHEMBL277199 | 0.72 | — | — | |
| SCHEMBL1286372 | 0.71 | — | — | |
| SCHEMBL4507043 | 0.70 | HTT (0.45) | — |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3154961-A1 | QUINAZOLINONE DERIVATIVES AS PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS | Gilead Sciences, Inc. (US) | 2017-04-19 | — | — | EP | claimed |
| WO-2015191743-A1 | QUINAZOLINONE DERIVATIVES AS PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS | GILEAD SCIENCES, INC. (US) | 2015-12-17 | — | — | WO | claimed |
| EP-0225472-A1 | Substituted pyrazolin-5-ones | BAYER AG (DE) | 1987-06-16 | — | — | EP | claimed |
| EP-3841179-A1 | DEEP-CURE MOISTURE-CURING RTV SILICONE COMPOSITION | Sika Technology AG (CH) | 2021-06-30 | — | — | EP | disclosed |
| WO-2020039057-A1 | DEEP-CURE MOISTURE-CURING RTV SILICONE COMPOSITION | SIKA TECHNOLOGY AG (CH) | 2020-02-27 | — | — | WO | disclosed |
| US-7235668-B2 | Process for the preparation of thioalkylamine derivatives | BAYER CROPSCIENCE AG (DE) | 2007-06-26 | — | — | US | disclosed |
| US-20050182275-A1 | Process for the preparation of thioalkylamine derivatives | BAYER CORPSCIENCE AG (DE) | 2005-08-18 | — | — | US | disclosed |
| US-5719155-A | CARDIOVASCULAR DISORDERS | JAPAN TOBACCO INC. (JP) | 1998-02-17 | — | — | US | disclosed |
| EP-0677519-A1 | CHROMAN DERIVATIVE AND MEDICINAL USE THEREOF | Japan Tobacco Inc. (JP) | 1995-10-18 | — | — | EP | disclosed |
| EP-0165422-B1 | SUBSTITUTED BIS-(4-AMINOPHENYL)-SULPHONES, THEIR PREPARATION AND THEIR USE AS MEDICINES | Dr. Karl Thomae GmbH (DE) | 1988-03-09 | — | — | EP | disclosed |