⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1101264 | 0.83 | ALDH1A1 (0.37) | — | |
| SCHEMBL1101263 | 0.83 | ALDH1A1 (0.37) | — | |
| SCHEMBL18896361 | 0.83 | ALDH1A1 (0.37) | — | |
| Itaconic Anhydride SCHEMBL5801536 | 0.79 | ALDH1A1 (0.51) | — | |
| Itaconic Anhydride SCHEMBL9347564 | 0.72 | — | — | |
| Itaconic Anhydride SCHEMBL25233 | 0.72 | — | — | |
| Itaconic Anhydride SCHEMBL28835250 | 0.70 | — | — | |
| Itaconic Anhydride SCHEMBL4343089 | 0.70 | TSHR (0.32) | — | |
| Itaconic Anhydride SCHEMBL28832702 | 0.70 | — | — | |
| SCHEMBL28557797 | 0.70 | ALDH1A1 (0.38) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0316874-A2 | Reactive coatings | THE SHERWIN-WILLIAMS COMPANY (US) | 1989-05-24 | — | — | EP | disclosed |