⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8649263 | 0.80 | ALDH1A1 (0.35) | — | |
| SCHEMBL9492037 | 0.78 | ALDH1A1 (0.33) | — | |
| SCHEMBL2496519 | 0.74 | ALDH1A1 (0.35) | — | |
| SCHEMBL27192664 | 0.74 | ALDH1A1 (0.35) | — | |
| SCHEMBL8650665 | 0.74 | ALDH1A1 (0.30) | — | |
| SCHEMBL10348462 | 0.72 | ALDH1A1 (0.33) | — | |
| SCHEMBL3056449 | 0.69 | — | — | |
| SCHEMBL3948918 | 0.69 | — | — | |
| SCHEMBL31707460 | 0.69 | ALDH1A1 (0.41) | — | |
| SCHEMBL6516146 | 0.67 | — | — |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4677216-A | 2-Substituted-1,3-butadiene derivatives and process for producing same | NISSAN CHEMICAL INDUSTRIES, LTD. (JP) | 1987-06-30 | — | — | US | claimed |
| 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 |