⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2403171 | 0.72 | — | — | |
| SCHEMBL610283 | 0.67 | — | — | |
| SCHEMBL2401941 | 0.66 | ALDH1A1 (0.30) | — | |
| SCHEMBL9762737 | 0.65 | — | — | |
| SCHEMBL2504208 | 0.62 | — | — | |
| SCHEMBL706365 | 0.61 | — | — | |
| SCHEMBL22733962 | 0.61 | — | — | |
| SCHEMBL7521177 | 0.61 | — | — | |
| SCHEMBL608822 | 0.58 | CA12 (0.31) | — | |
| SCHEMBL20677312 | 0.57 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-9315608-B2 | Conjugated diene polymer rubber, and conjugated diene polymer rubber composition | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2016-04-19 | — | — | US | disclosed |
| US-20140206811-A1 | CONJUGATED DIENE POLYMER RUBBER, AND CONJUGATED DIENE POLYMER RUBBER COMPOSITION | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2014-07-24 | — | — | US | disclosed |
| US-20110237737-A1 | CONJUGATED DIENE POLYMER RUBBER, AND CONJUGATED DIENE POLYMER RUBBER COMPOSITION | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2011-09-29 | — | — | US | disclosed |