⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9538078 | 0.66 | CYP4F2 (0.31) | — | |
| SCHEMBL9039997 | 0.62 | CA12 (0.34) | — | |
| SCHEMBL20100933 | 0.59 | TDP1 (0.52) | — | |
| SCHEMBL26109649 | 0.57 | KMT2A (0.39) | — | |
| SCHEMBL7922086 | 0.57 | ESR1 (0.45) | — | |
| SCHEMBL9040807 | 0.56 | PREP (0.31) | — | |
| SCHEMBL20100939 | 0.56 | KMT2A (0.47) | — | |
| SCHEMBL9417699 | 0.55 | — | — | |
| SCHEMBL24819326 | 0.54 | NOTUM (0.43) | — | |
| SCHEMBL29193009 | 0.54 | CFTR (0.40) | — |
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-5486466-A | ENZYME INHIBITORS | HOFFMANN-LA ROCHE INC. (US) | 1996-01-23 | — | — | US | disclosed |