⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20127141 | 0.90 | NPC1 (0.32) | — | |
| SCHEMBL12298309 | 0.83 | — | — | |
| SCHEMBL5940287 | 0.82 | TDP1 (0.32) | — | |
| SCHEMBL6377644 | 0.82 | TDP1 (0.32) | — | |
| SCHEMBL23259195 | 0.79 | — | — | |
| SCHEMBL4597272 | 0.79 | — | — | |
| SCHEMBL18348908 | 0.78 | HSD17B10 (0.41) | — | |
| SCHEMBL13509110 | 0.76 | TSHR (0.48) | — | |
| SCHEMBL14499000 | 0.76 | — | — | |
| SCHEMBL15382348 | 0.74 | TSHR (0.44) | — |
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-7235599-B2 | Rubber composition and racing tire having tread comprising thereof | SUMITOMO RUBBER INDUSTRIES, LTD. (JP) | 2007-06-26 | — | — | US | disclosed |