⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2210924 | 1.00 | — | — | |
| SCHEMBL983402 | 0.98 | — | — | |
| SCHEMBL3389175 | 0.87 | — | — | |
| SCHEMBL2212534 | 0.87 | — | — | |
| SCHEMBL2691269 | 0.84 | — | — | |
| SCHEMBL2212022 | 0.84 | — | — | |
| SCHEMBL659526 | 0.84 | — | — | |
| SCHEMBL264761 | 0.84 | — | — | |
| SCHEMBL449924 | 0.82 | — | — | |
| SCHEMBL431619 | 0.82 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0656391-B1 | Rubber composition | DOW CORNING TORAY SILICONE (JP) | 1999-03-10 | — | — | EP | disclosed |
| EP-0656391-A2 | Rubber composition | Dow Corning Toray Silicone Company, Limited (JP) | 1995-06-07 | — | — | EP | disclosed |