⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9010969 | 0.90 | THRA (0.31) | — | |
| SCHEMBL9010952 | 0.75 | CES2 (0.31) | — | |
| SCHEMBL5864281 | 0.71 | AKR1C3 (0.31) | — | |
| SCHEMBL9010919 | 0.70 | SLC6A12 (0.30) | — | |
| SCHEMBL16887492 | 0.65 | THRA (0.32) | — | |
| SCHEMBL16887450 | 0.65 | THRA (0.32) | — | |
| SCHEMBL9010854 | 0.65 | ALDH1A1 (0.33) | — | |
| SCHEMBL12654703 | 0.64 | S1PR1 (0.32) | — | |
| SCHEMBL11562500 | 0.64 | PTGER2 (0.37) | — | |
| SCHEMBL21085013 | 0.63 | ESR2 (0.31) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0477983-B1 | Unsaturated polylactone acrylates and derivatives thereof | UNION CARBIDE CHEM PLASTIC (US) | 1996-11-13 | — | — | EP | disclosed |
| US-5557007-A | Unsaturated polylactone acrylates and derivatives thereof | UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) | 1996-09-17 | — | — | US | disclosed |
| EP-0477983-A2 | Unsaturated polylactone acrylates and derivatives thereof | UNION CARBIDE CHEMICALS AND PLASTICS COMPANY, INC. (US) | 1992-04-01 | — | — | EP | disclosed |