⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27912390 | 0.79 | — | — | |
| SCHEMBL472773 | 0.77 | — | — | |
| Crotonic Acid SCHEMBL27770109 | 0.73 | ALDH1A1 (0.31) | — | |
| SCHEMBL15150552 | 0.71 | SMN1; SMN2 (0.33) | — | |
| SCHEMBL28066932 | 0.69 | — | — | |
| SCHEMBL27095789 | 0.67 | — | — | |
| SCHEMBL15101930 | 0.66 | ALDH1A1 (0.39) | — | |
| SCHEMBL432665 | 0.66 | ALDH1A1 (0.39) | — | |
| SCHEMBL6830021 | 0.66 | ALDH1A1 (0.32) | — | |
| SCHEMBL432664 | 0.66 | ALDH1A1 (0.39) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5439982-A | Films, coatings, inks, adhesives, sealants | UNION CARBIDE CHEMICAL & PLASTIC TECHNOLOGY CORPORATION (US) | 1995-08-08 | — | — | US | disclosed |
| WO-1995000561-A2 | REACTIVE POLYMERS HAVING PENDANT FLEXIBLE SIDE CHAINS PREPARED FROM ETHYLENICALLY UNSATURATED CARBODIIMIDES | UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) | 1995-01-05 | — | — | WO | disclosed |
| US-5371148-A | Decoration, coatings, inks, adhesives, sealants | UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) | 1994-12-06 | — | — | US | disclosed |