⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11787476 | 0.84 | — | — | |
| SCHEMBL21654068 | 0.72 | — | — | |
| SCHEMBL21654189 | 0.70 | PNMT (0.33) | — | |
| SCHEMBL22628604 | 0.69 | — | — | |
| SCHEMBL21653989 | 0.67 | — | — | |
| SCHEMBL21654006 | 0.67 | PRKACA (0.32) | — | |
| SCHEMBL17975256 | 0.63 | CYP1A2 (0.38) | — | |
| Fluoride SCHEMBL7237073 | 0.54 | — | — | |
| SCHEMBL8351884 | 0.48 | — | — | |
| SCHEMBL5819577 | 0.47 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0246918-B1 | Curable prepolymers | GRACE W R & CO (US) | 1994-01-26 | — | — | EP | claimed |
| EP-0246918-A1 | Curable prepolymers | W.R. Grace & Co.-Conn. (US) | 1987-11-25 | — | — | EP | claimed |
| EP-0246918-B1 | Curable prepolymers | GRACE W R & CO (US) | 1994-01-26 | — | — | EP | disclosed |
| EP-0246918-A1 | Curable prepolymers | W.R. Grace & Co.-Conn. (US) | 1987-11-25 | — | — | EP | disclosed |