⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9255250 | 0.68 | IDH1 (0.35) | — | |
| SCHEMBL9259716 | 0.67 | LCK (0.45) | — | |
| SCHEMBL4243799 | 0.62 | CYP3A4 (0.43) | — | |
| SCHEMBL27232925 | 0.60 | NOS2 (0.48) | — | |
| SCHEMBL16414199 | 0.60 | NOS2 (0.48) | — | |
| SCHEMBL4735618 | 0.57 | — | — | |
| SCHEMBL12915219 | 0.57 | NOS3 (0.43) | — | |
| SCHEMBL11699835 | 0.57 | NOS2 (0.43) | — | |
| SCHEMBL8580093 | 0.56 | CA12 (0.49) | — | |
| SCHEMBL9258041 | 0.56 | CYP3A4 (0.32) | — |
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-5439909-A | 2-Substituted with amide or thioamide group; antioxidant for lipoproteins, antilipemic agents, anticholesterol agents | ADIR ET COMPAGNIE (FR) | 1995-08-08 | — | — | US | disclosed |
| US-5420132-A | Antilipemic agents | ADIR ET COMPAGNIE (FR) | 1995-05-30 | — | — | US | disclosed |