⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13508783 | 0.82 | — | — | |
| SCHEMBL2229932 | 0.82 | — | — | |
| SCHEMBL14036887 | 0.73 | — | — | |
| SCHEMBL11417286 | 0.68 | — | — | |
| SCHEMBL2597482 | 0.66 | — | — | |
| SCHEMBL8746583 | 0.64 | — | — | |
| SCHEMBL1620154 | 0.64 | — | — | |
| SCHEMBL866067 | 0.63 | — | — | |
| SCHEMBL25279 | 0.63 | — | — | |
| SCHEMBL195450 | 0.63 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-4280979-A | POLYESTERURETHANE-ADDITION COPOLYMERS USED FOR MOLDING MATERIALS | UNION CARBIDE CORPORATION (US) | 1981-07-28 | — | — | US | disclosed |
| US-4241199-A | USEFUL IN PREPARING LIGHTWEIGHT POLYESTERURETHANES | UNION CARBIDE CORPORATION (US) | 1980-12-23 | — | — | US | disclosed |