⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL199723 | 0.68 | — | — | |
| SCHEMBL4603031 | 0.55 | — | — | |
| SCHEMBL11856419 | 0.52 | — | — | |
| SCHEMBL13799453 | 0.45 | — | — | |
| SCHEMBL2413574 | 0.43 | — | — | |
| SCHEMBL5909337 | 0.42 | — | — | |
| SCHEMBL6622781 | 0.40 | — | — | |
| SCHEMBL1766392 | 0.39 | — | — | |
| SCHEMBL166930 | 0.39 | — | — | |
| SCHEMBL1005236 | 0.39 | — | — |
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-20040242782-A1 | Rubber composition and vulcanized rubber | SUMITOMO CHEMICAL COMPANY, LIMITED | 2004-12-02 | — | — | US | disclosed |