⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6153632 | 0.73 | — | — | |
| SCHEMBL5439506 | 0.73 | — | — | |
| SCHEMBL6711951 | 0.69 | CHRM1 (0.31) | — | |
| SCHEMBL438405 | 0.67 | — | — | |
| SCHEMBL23282503 | 0.67 | GABRR1 (0.32) | — | |
| SCHEMBL3473812 | 0.67 | — | — | |
| SCHEMBL5027536 | 0.65 | — | — | |
| SCHEMBL23282541 | 0.65 | — | — | |
| SCHEMBL1821988 | 0.64 | ZDHHC7 (0.39) | — | |
| SCHEMBL331045 | 0.60 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1893683-B1 | RUBBER COMPOSITION FOR TYRE COMPRISING AN ORGANOSILICIUM COUPLING SYSTEM | MICHELIN RECH TECH (CH) | 2010-08-18 | — | — | EP | claimed |