⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3376062 | 0.69 | — | — | |
| SCHEMBL7528735 | 0.67 | GABRR1 (0.39) | — | |
| SCHEMBL7712170 | 0.67 | — | — | |
| SCHEMBL3373102 | 0.67 | — | — | |
| SCHEMBL1129568 | 0.65 | — | — | |
| SCHEMBL877978 | 0.65 | — | — | |
| SCHEMBL1129860 | 0.65 | — | — | |
| SCHEMBL1325781 | 0.64 | — | — | |
| SCHEMBL8948257 | 0.63 | — | — | |
| SCHEMBL18640627 | 0.63 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-111479866-B | Polyurethane-containing tread rubber compositions and related methods | 株式会社普利司通 | 2023-03-10 | — | — | CN | disclosed |