⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL65971 | 0.87 | KDM4E (0.31) | — | |
| SCHEMBL10399537 | 0.85 | CYP4F2 (0.41) | — | |
| SCHEMBL1963686 | 0.80 | ALDH1A1 (0.38) | — | |
| SCHEMBL8673327 | 0.72 | KDM4E (0.31) | — | |
| SCHEMBL23637 | 0.68 | CHRM5 (0.32) | — | |
| Ethylene Glycol SCHEMBL1008646 | 0.67 | THRB (0.39) | — | |
| Ammonia Solution, Strong SCHEMBL5532864 | 0.67 | GAA (0.44) | — | |
| SCHEMBL958243 | 0.67 | TSHR (0.39) | — | |
| SCHEMBL51593 | 0.67 | ALDH1A1 (0.41) | — | |
| SCHEMBL19019778 | 0.67 | ALDH1A1 (0.37) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2399953-B1 | POLYCHLOROPRENE ELASTOMER COMPOSITION, PROCESS FOR PRODUCING SAME, AND VULCANIZATE AND MOLDED OBJECT | DENKA COMPANY LTD (JP) | 2017-03-15 | — | — | EP | disclosed |
| US-20120022196-A1 | POLYCHLOROPRENE ELASTOMER COMPOSITION, AND PRODUCTION METHOD- AND THE VULCANIZATE AND MOLDED ARTICLES THEREOF | DENKI KAGAKU KOGYO KABUSHIKI KAISHA (JP) | 2012-01-26 | — | — | US | disclosed |
| EP-2399953-A1 | POLYCHLOROPRENE ELASTOMER COMPOSITION, PROCESS FOR PRODUCING SAME, AND VULCANIZATE AND MOLDED OBJECT | Denki Kagaku Kogyo Kabushiki Kaisha (JP) | 2011-12-28 | — | — | EP | disclosed |