⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6908343 | 0.76 | PPM1B (0.39) | — | |
| SCHEMBL127482 | 0.74 | POLB (0.43) | — | |
| SCHEMBL11528987 | 0.74 | TSHR (0.38) | — | |
| SCHEMBL11241686 | 0.72 | PPARG (0.43) | — | |
| SCHEMBL18145197 | 0.72 | PPM1B (0.38) | — | |
| SCHEMBL11224180 | 0.72 | CYP3A4 (0.45) | — | |
| SCHEMBL1196222 | 0.70 | HTT (0.34) | — | |
| 1,4-Butanediol SCHEMBL11757100 | 0.69 | POLB (0.35) | — | |
| 1,6-Hexanediol SCHEMBL11755137 | 0.68 | POLB (0.34) | — | |
| SCHEMBL10476963 | 0.68 | TSHR (0.36) | — |
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-4314946-A | Process for the continuous separation of maleic anhydride from process gases | FTALITAL PRODOTTI CHIMICI SPECIALI S.P.A. (IT) | 1982-02-09 | — | — | US | disclosed |