⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9157798 | 0.82 | PAK1 (0.43) | — | |
| SCHEMBL9154620 | 0.80 | ALDH1A1 (0.47) | — | |
| SCHEMBL9335182 | 0.67 | — | — | |
| SCHEMBL9370723 | 0.66 | — | — | |
| SCHEMBL24942562 | 0.65 | MEN1 (0.47) | — | |
| SCHEMBL9159359 | 0.65 | MEN1 (0.46) | — | |
| SCHEMBL9879099 | 0.64 | — | — | |
| SCHEMBL9332676 | 0.64 | — | — | |
| SCHEMBL18935599 | 0.61 | ALDH1A1 (0.48) | — | |
| SCHEMBL9425761 | 0.60 | MEN1 (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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5478830-A | Pyrazolo pyrimidines; inhibitors of acyl-coenzyme A and cholesterol acyltransferase; antihypercholesterolemic agents | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1995-12-26 | — | — | US | disclosed |