⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5417805 | 0.92 | — | — | |
| SCHEMBL28300141 | 0.82 | — | — | |
| SCHEMBL19994041 | 0.82 | — | — | |
| SCHEMBL10438200 | 0.80 | ALDH1A1 (0.35) | — | |
| SCHEMBL539285 | 0.72 | ALDH1A1 (0.30) | — | |
| SCHEMBL130892 | 0.71 | ALDH1A1 (0.30) | — | |
| SCHEMBL10425263 | 0.71 | — | — | |
| SCHEMBL7611956 | 0.69 | — | — | |
| SCHEMBL16628461 | 0.69 | ALDH1A1 (0.41) | — | |
| SCHEMBL8924200 | 0.69 | — | — |
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-0007778-B1 | VINYL ESTER URETHANES, METHOD FOR THEIR PREPARATION AND LAMINATE COMPOSITIONS CONTAINING THEM | ICI AMERICAS INC. (US) | 1983-07-20 | — | — | EP | disclosed |
| US-4182830-A | BISPHENOL A ETHERIFIED WITH ALKYLENE GLYCOL, POLYCARBOXYLIC ACID, POLYISOCYANATE, HYDROXY TERMINATED UNSATURATED ESTER, POLYESTERS, POLYURETHANES, LAMINATES | ICI AMERICAS INC. (US) | 1980-01-08 | — | — | US | disclosed |