⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9160663 | 0.80 | — | — | |
| SCHEMBL9154620 | 0.76 | ALDH1A1 (0.47) | — | |
| SCHEMBL9152529 | 0.74 | SOAT1 (0.67) | — | |
| SCHEMBL9332518 | 0.74 | ACAT1 (0.69) | — | |
| SCHEMBL9376090 | 0.73 | ACAT1 (0.68) | — | |
| SCHEMBL9332852 | 0.73 | ACAT1 (0.73) | — | |
| SCHEMBL9157883 | 0.73 | SOAT1 (0.66) | — | |
| SCHEMBL9371730 | 0.73 | ACAT1 (0.67) | — | |
| SCHEMBL9373772 | 0.73 | ACAT1 (0.91) | — | |
| SCHEMBL9375747 | 0.72 | ACAT1 (0.73) | — |
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 |
|---|---|---|---|---|---|---|---|
| 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 | claimed |
| 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 |