⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9718532 | 0.77 | — | — | |
| SCHEMBL1843680 | 0.76 | — | — | |
| SCHEMBL2071264 | 0.76 | — | — | |
| SCHEMBL29955293 | 0.74 | CES1 (0.41) | — | |
| SCHEMBL17546443 | 0.74 | — | — | |
| SCHEMBL28508040 | 0.74 | — | — | |
| SCHEMBL10897248 | 0.73 | — | — | |
| SCHEMBL1284015 | 0.72 | — | — | |
| SCHEMBL204096 | 0.71 | — | — | |
| SCHEMBL29951861 | 0.70 | FAAH (0.46) | — |
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 14 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0097881-B1 | SUBSTITUTED AZOLYL KETONES AND ALCOHOLS | BAYER AG (DE) | 1990-08-29 | — | — | EP | disclosed |
| EP-0141204-B1 | HYDROXYETHYL AZOLE DERIVATIVES | BAYER AG (DE) | 1990-05-02 | — | — | EP | disclosed |
| US-4843088-A | FUNGICIDES | BAYER AKTIENGESELLSCHAFT (DE) | 1989-06-27 | — | — | US | disclosed |
| US-4747869-A | FUNGICIDES | BAYER AKTIENGESELLSCHAFT (DE) | 1988-05-31 | — | — | US | disclosed |
| EP-0111711-B1 | HETEROCYCLICALLY SUBSTITUTED HYDROXYALKYL-AZOLYL DERIVATIVES | BAYER AG (DE) | 1987-03-18 | — | — | EP | disclosed |
| US-4645767-A | FOR PLANTS | BAYER AKTIENGESELLSCHAFT (DE) | 1987-02-24 | — | — | US | disclosed |
| US-4639462-A | Heterocyclo-hydroxyalkyl-azolyl derivatives and use as fungicides | BAYER AKTIENGESELLSCHAFT (DE) | 1987-01-27 | — | — | US | disclosed |
| US-4632932-A | TRIAZOLYL-DIOXOLANYL OR DIOXANYL COMPOUNDS | BAYER AKTIENGESELLSCHAFT (DE) | 1986-12-30 | — | — | US | disclosed |
| EP-0111146-B1 | ANTI-MYCOTIC HYDROXYALKYL-AZOLYL DERIVATIVES | BAYER AG (DE) | 1986-12-30 | — | — | EP | disclosed |
| EP-0141204-A2 | Hydroxyethyl azole derivatives | BAYER AG (DE) | 1985-05-15 | — | — | EP | disclosed |
| EP-0111711-A2 | Heterocyclically substituted hydroxyalkyl-azolyl derivatives | BAYER AG (DE) | 1984-06-27 | — | — | EP | disclosed |
| EP-0111146-A2 | Anti-mycotic hydroxyalkyl-azolyl derivatives | BAYER AG (DE) | 1984-06-20 | — | — | EP | disclosed |
| EP-0097882-A2 | Keto-aldehyde derivatives and process for their preparation | BAYER AG (DE) | 1984-01-11 | — | — | EP | disclosed |
| EP-0097881-A2 | Substituted azolyl ketones and alcohols | BAYER AG (DE) | 1984-01-11 | — | — | EP | disclosed |