⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL817848 | 0.71 | — | — | |
| SCHEMBL7863264 | 0.69 | — | — | |
| SCHEMBL835915 | 0.67 | — | — | |
| SCHEMBL10020192 | 0.67 | — | — | |
| SCHEMBL10799721 | 0.65 | GBA1 (0.35) | — | |
| SCHEMBL21170115 | 0.63 | — | — | |
| SCHEMBL24220713 | 0.63 | — | — | |
| SCHEMBL6470894 | 0.63 | — | — | |
| SCHEMBL819303 | 0.60 | — | — | |
| SCHEMBL11261482 | 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20110275756-A1 | CONJUGATED DIENE POLYMER, CONJUGATED DIENE POLYMER COMPOSITION, AND METHOD FOR PRODUCING CONJUGATED DIENE POLYMER | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2011-11-10 | — | — | US | disclosed |