⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2503277 | 0.87 | — | — | |
| SCHEMBL2507070 | 0.76 | ALDH1A1 (0.39) | — | |
| SCHEMBL2505845 | 0.73 | — | — | |
| SCHEMBL2506347 | 0.73 | — | — | |
| SCHEMBL2505248 | 0.72 | PAOX (0.34) | — | |
| SCHEMBL2505373 | 0.69 | S1PR2 (0.35) | — | |
| SCHEMBL557749 | 0.69 | ALDH1A1 (0.33) | — | |
| SCHEMBL6657146 | 0.68 | — | — | |
| SCHEMBL2505166 | 0.67 | — | — | |
| SCHEMBL2510456 | 0.64 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8304488-B2 | Conjugated diene polymer, conjugated diene polymer composition, and method for producing conjugated diene polymer | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2012-11-06 | — | — | US | disclosed |
| US-20110245408-A1 | CONJUGATED DIENE POLYMER, CONJUGATED DIENE POLYMER COMPOSITION, AND METHOD FOR PRODUCING CONJUGATED DIENE POLYMER | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2011-10-06 | — | — | US | disclosed |