⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10670668 | 0.82 | — | — | |
| SCHEMBL3688126 | 0.78 | TRPA1 (0.38) | — | |
| SCHEMBL755628 | 0.73 | — | — | |
| SCHEMBL3416215 | 0.73 | — | — | |
| SCHEMBL7002600 | 0.73 | — | — | |
| SCHEMBL3401995 | 0.73 | — | — | |
| SCHEMBL3694420 | 0.71 | — | — | |
| SCHEMBL10911277 | 0.69 | — | — | |
| SCHEMBL241277 | 0.69 | TSHR (0.39) | — | |
| SCHEMBL6798042 | 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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0231002-B1 | CROSSLINKABLE SOLID RUBBERY POLYMERS | BASF Aktiengesellschaft (DE) | 1992-08-12 | — | — | EP | disclosed |
| US-4762892-A | ETHYLENE-ACRYLIC OR METHACRYLIC ACID-ALKYL ACRYLATE MODIFIED TO CONTAIN UNSATURATED SIDE CHAINS | BASF AKTIENGESELLSCHAFT (DE) | 1988-08-09 | — | — | US | disclosed |
| EP-0231002-A2 | Crosslinkable solid rubbery polymers | BASF Aktiengesellschaft (DE) | 1987-08-05 | — | — | EP | disclosed |