⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10743427 | 0.80 | — | — | |
| SCHEMBL21545331 | 0.78 | MEN1 (0.31) | — | |
| SCHEMBL4074204 | 0.77 | — | — | |
| SCHEMBL12132583 | 0.76 | — | — | |
| SCHEMBL10743887 | 0.75 | — | — | |
| SCHEMBL3862714 | 0.75 | ALDH1A1 (0.30) | — | |
| SCHEMBL4189522 | 0.74 | — | — | |
| SCHEMBL712128 | 0.74 | EPHX1 (0.35) | — | |
| SCHEMBL3160710 | 0.74 | — | — | |
| SCHEMBL10976402 | 0.74 | ALDH1A1 (0.33) | — |
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-0569805-B1 | Process and intermediates for the preparation of 2,13-octadienyle acetate and its use | BASF AG (DE) | 1997-03-12 | — | — | EP | disclosed |
| EP-0502376-B1 | Method for the production of alpha,beta-unsaturated aldehydes and ketones | BASF AG (DE) | 1994-11-30 | — | — | EP | disclosed |
| EP-0569805-A1 | Process and intermediates for the preparation of 2,13-octadienyle acetate and its use | BASF Aktiengesellschaft (DE) | 1993-11-18 | — | — | EP | disclosed |
| US-5206442-A | Acid hydrolysis of corresponding cyclic unsaturated acetal or ketal in presence of saturated aldehyde | BASF AKTIENGESELLSCHAFT (DE) | 1993-04-27 | — | — | US | disclosed |
| EP-0502376-A1 | Method for the production of alpha,beta-unsaturated aldehydes and ketones | BASF Aktiengesellschaft (DE) | 1992-09-09 | — | — | EP | disclosed |
| US-4707182-A | Phenoxine-ketal ethers, compositions containing them and the use thereof | CIBA-GEIGY CORPORATION (US) | 1987-11-17 | — | — | US | disclosed |
| US-4576628-A | PLANT SAFENING AGENTS | CIBA-GEIGY CORPORATION (US) | 1986-03-18 | — | — | US | disclosed |
| US-4532732-A | PLANT SAFENING AGENTS AND CHLOROACETANILIDE HERBICIDES FOR SERGHUM, RICE AND BARLEY | CIBA-GEIGY CORPORATION (US) | 1985-08-06 | — | — | US | disclosed |
| US-4530716-A | Plant safening agent | CIBA-GEIGY CORPORATION (US) | 1985-07-23 | — | — | US | disclosed |
| US-4497648-A | ANTIDOTES FOR HERBICIDES FOR PLANTS | CIBA-GEIGY CORPORATION (US) | 1985-02-05 | — | — | US | disclosed |
| EP-0089313-A1 | Oxime ethers, process for their preparation, compositions containing the oxime ethers and their use | CIBA-GEIGY AG (CH) | 1983-09-21 | — | — | EP | disclosed |