⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL819103 | 0.82 | SLC6A2 (0.33) | — | |
| SCHEMBL818011 | 0.81 | SLC6A3 (0.38) | — | |
| SCHEMBL27989319 | 0.67 | SHBG (0.33) | — | |
| SCHEMBL20526073 | 0.64 | — | — | |
| SCHEMBL20526072 | 0.64 | — | — | |
| SCHEMBL27390167 | 0.64 | — | — | |
| SCHEMBL789496 | 0.63 | — | — | |
| SCHEMBL133753 | 0.63 | — | — | |
| SCHEMBL133752 | 0.63 | — | — | |
| SCHEMBL818430 | 0.62 | — | — |
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 |