⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21133443 | 0.77 | — | — | |
| SCHEMBL25533398 | 0.76 | TYMP (0.31) | — | |
| SCHEMBL14376341 | 0.74 | — | — | |
| SCHEMBL24149368 | 0.72 | — | — | |
| SCHEMBL24496932 | 0.71 | ALDH1A1 (0.35) | — | |
| SCHEMBL22355697 | 0.70 | NOTUM (0.35) | — | |
| SCHEMBL19706341 | 0.69 | TYMP (0.30) | — | |
| SCHEMBL23957615 | 0.68 | — | — | |
| SCHEMBL28863765 | 0.67 | — | — | |
| SCHEMBL18850081 | 0.67 | — | — |
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-3517112-B1 | HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF SUMO ACTIVATING ENZYME | MILLENNIUM PHARM INC (US) | 2021-04-07 | — | — | EP | disclosed |
| EP-3086763-B1 | COSMETIC COMPOSITION COMPRISING AN OIL, A NONIONIC SURFACTANT AND A C-GLYCOSIDE COMPOUND | OREAL (FR) | 2019-07-03 | — | — | EP | disclosed |