⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16005 | 0.84 | MAPK1 (0.35) | — | |
| SCHEMBL175503 | 0.77 | MAPK1 (0.35) | — | |
| SCHEMBL29784882 | 0.77 | MAPK1 (0.31) | — | |
| SCHEMBL27652233 | 0.77 | HSD17B3 (0.32) | — | |
| SCHEMBL28167123 | 0.76 | MAPK1 (0.33) | — | |
| SCHEMBL11870982 | 0.75 | MAPK1 (0.33) | — | |
| SCHEMBL741406 | 0.74 | MAPK1 (0.37) | — | |
| SCHEMBL1860545 | 0.74 | MAPK1 (0.37) | — | |
| SCHEMBL741407 | 0.74 | MAPK1 (0.37) | — | |
| SCHEMBL28910883 | 0.74 | MAPK1 (0.34) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-5557007-A | Unsaturated polylactone acrylates and derivatives thereof | UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) | 1996-09-17 | — | — | US | disclosed |