⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10915744 | 0.79 | ALDH1A1 (0.33) | — | |
| SCHEMBL7913331 | 0.73 | — | — | |
| SCHEMBL3056449 | 0.64 | — | — | |
| SCHEMBL31707460 | 0.64 | ALDH1A1 (0.41) | — | |
| SCHEMBL8468827 | 0.62 | — | — | |
| Chloroprene SCHEMBL20161 | 0.59 | — | — | |
| Chloroprene SCHEMBL9451156 | 0.59 | ALDH1A1 (0.43) | — | |
| Chloroprene SCHEMBL11408807 | 0.59 | ALDH1A1 (0.43) | — | |
| SCHEMBL11684323 | 0.59 | — | — | |
| SCHEMBL3699141 | 0.59 | — | — |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0542617-B1 | Method for the preparation of an oximesilane compound | SHINETSU CHEMICAL CO (JP) | 1997-08-13 | — | — | EP | disclosed |
| EP-0176085-B1 | 4-SUBSTITUTED-1,2,3,6-TETRAHYDROPHTHALIC ACID ANHYDRIDE AND PRODUCTION PROCESS THEREOF | NISSAN CHEMICAL INDUSTRIES LTD. (JP) | 1993-04-14 | — | — | EP | disclosed |
| EP-0154867-B1 | 2-SUBSTITUTED-1,3-BUTADIENE DERIVATIVES AND PROCESS FOR PRODUCING SAME | NISSAN CHEMICAL INDUSTRIES LTD. (JP) | 1990-05-02 | — | — | EP | disclosed |
| EP-0189174-B1 | POLYMERS OF SUBSTITUTED 1,3-BUTADIENE COMPOUNDS AND PROCESS FOR THEIR PREPARATION | NISSAN CHEMICAL INDUSTRIES LTD. (JP) | 1990-04-25 | — | — | EP | disclosed |
| US-4837339-A | 4-Substituted-1,2,3,6-tetrahydrophthalic acid anhydride | NISSAN CHEMICAL INDUSTRIES, LTD. (JP) | 1989-06-06 | — | — | US | disclosed |
| US-4730031-A | Polymers of substituted 1,3-butadiene compounds having reactive silyl groups and process for their preparation | NISSAN CHEMICAL INDUSTRIES LTD. (JP) | 1988-03-08 | — | — | US | disclosed |
| US-4677216-A | 2-Substituted-1,3-butadiene derivatives and process for producing same | NISSAN CHEMICAL INDUSTRIES, LTD. (JP) | 1987-06-30 | — | — | US | disclosed |
| EP-0189174-A1 | Polymers of substituted 1,3-butadiene compounds and process for their preparation | NISSAN CHEMICAL INDUSTRIES LTD. (JP) | 1986-07-30 | — | — | EP | disclosed |
| EP-0176085-A2 | 4-Substituted-1,2,3,6-tetrahydrophthalic acid anhydride and production process thereof | NISSAN CHEMICAL INDUSTRIES LTD. (JP) | 1986-04-02 | — | — | EP | disclosed |
| EP-0154867-A1 | 2-Substituted-1,3-butadiene derivatives and process for producing same | NISSAN CHEMICAL INDUSTRIES LTD. (JP) | 1985-09-18 | — | — | EP | disclosed |