⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10836423 | 0.60 | — | — | |
| SCHEMBL10705052 | 0.60 | — | — | |
| SCHEMBL11803618 | 0.59 | — | — | |
| SCHEMBL21463 | 0.57 | MAPT (0.41) | — | |
| SCHEMBL10892281 | 0.56 | — | — | |
| SCHEMBL10600421 | 0.56 | CYP2C19 (0.36) | — | |
| SCHEMBL1683958 | 0.56 | ALDH1A1 (0.34) | — | |
| SCHEMBL4400936 | 0.55 | — | — | |
| SCHEMBL6191616 | 0.55 | — | — | |
| SCHEMBL13222238 | 0.55 | — | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20140080704-A1 | SUBSTITUTED VINYL AND ALKINYL CYCLOHEXENOLS AS ACTIVE AGENTS AGAINST ABIOTIC STRESS IN PLANTS | BAYER INTELLECTUAL PROPERTY GMBH (DE) | 2014-03-20 | — | — | US | disclosed |
| US-20140051577-A1 | SUBSTITUTED 5-(BICYCLO[4.1.0]HEPT-3-EN-2-YL)PENTA-2,4-DIENES AND 5-(BICYCLO[4.1.0]HEPT-3-EN-2-YL)PENT-2-ENE-4-INES AS ACTIVE AGENTS AGAINST ABIOTIC STRESSES IN PLANTS | FRACKENPOHL JENS (DE) | 2014-02-20 | — | — | US | disclosed |
| EP-2697194-A1 | SUBSTITUTED 5-(BICYCLO[4.1.0]HEPT-3-EN-2-YL)-PENTA-2,4-DIENES AND 5-(BICYCLO[4.1.0]HEPT-3-EN-2-YL)-PENT-2-ENE-4-INES AS ACTIVE AGENTS AGAINST ABIOTIC STRESS IN PLANTS | Bayer Intellectual Property GmbH (DE) | 2014-02-19 | — | — | EP | disclosed |
| EP-2697214-A1 | SUBSTITUTED VINYL AND ALKINYL CYCLOHEXENOLS AS ACTIVE AGENTS AGAINST ABIOTIC STRESS IN PLANTS | Bayer Intellectual Property GmbH (DE) | 2014-02-19 | — | — | EP | disclosed |
| WO-2012139892-A1 | SUBSTITUTED 5-(BICYCLO[4.1.0]HEPT-3-EN-2-YL)-PENTA-2,4-DIENES AND 5-(BICYCLO[4.1.0]HEPT-3-EN-2-YL)-PENT-2-ENE-4-INES AS ACTIVE AGENTS AGAINST ABIOTIC STRESS IN PLANTS | BAYER CROPSCIENCE AG (DE) | 2012-10-18 | — | — | WO | disclosed |
| WO-2012139891-A1 | SUBSTITUTED VINYL AND ALKINYL CYCLOHEXENOLS AS ACTIVE AGENTS AGAINST ABIOTIC STRESS IN PLANTS | BAYER CROPSCIENCE AG (DE) | 2012-10-18 | — | — | WO | disclosed |