⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL242884 | 0.73 | PRSS1 (0.41) | — | |
| SCHEMBL5677435 | 0.72 | SLC2A1 (0.38) | — | |
| SCHEMBL8756026 | 0.70 | SLC2A1 (0.36) | — | |
| SCHEMBL8817632 | 0.69 | ALDH1A1 (0.47) | — | |
| SCHEMBL8153153 | 0.69 | SLC2A1 (0.35) | — | |
| SCHEMBL8931106 | 0.69 | ALDH1A1 (0.47) | — | |
| SCHEMBL286578 | 0.69 | ALDH1A1 (0.47) | — | |
| SCHEMBL9086157 | 0.68 | — | — | |
| SCHEMBL3185827 | 0.68 | PRSS1 (0.38) | — | |
| SCHEMBL6403541 | 0.65 | ALDH1A1 (0.44) | — |
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-0391271-B2 | Aqueous and heat-curable coating composition based on polyester and acrylate, process for its preparation and its use | HERBERTS GMBH (DE) | 2000-05-31 | — | — | EP | disclosed |
| EP-0391271-A2 | Aqueous and heat-curable coating composition based on polyester and acrylate, process for its preparation and its use | Herberts Gesellschaft mit beschränkter Haftung (DE) | 1990-10-10 | — | — | EP | disclosed |