⚠ 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 | |
|---|---|---|---|---|
| Chloroprene SCHEMBL9451156 | 0.95 | ALDH1A1 (0.43) | — | |
| Chloroprene SCHEMBL11408807 | 0.95 | ALDH1A1 (0.43) | — | |
| Chloroprene SCHEMBL20161 | 0.95 | — | — | |
| Chloroprene SCHEMBL241399 | 0.91 | — | — | |
| Chloroprene SCHEMBL7630678 | 0.91 | — | — | |
| Chloroprene SCHEMBL8180551 | 0.91 | — | — | |
| Chloroprene SCHEMBL11310256 | 0.91 | — | — | |
| Chloroprene SCHEMBL10829182 | 0.87 | — | — | |
| Chloroprene SCHEMBL428978 | 0.87 | ALDH1A1 (0.38) | — | |
| Chloroprene SCHEMBL10801083 | 0.87 | — | — |
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-0444920-B1 | Butadienyl groupcontaining siloxane compounds and method of producing the same | SHINETSU CHEMICAL CO (JP) | 1998-09-16 | — | — | EP | disclosed |
| US-5059705-A | Intermediate or modifying agent in synthesis of silicone resins or other resins | SHIN-ETSU CHEMICAL CO., LTD. (JP) | 1991-10-22 | — | — | US | disclosed |
| EP-0444920-A2 | Butadienyl groupcontaining siloxane compounds and method of producing the same | SHIN-ETSU CHEMICAL CO., LTD. (JP) | 1991-09-04 | — | — | EP | disclosed |