⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19432438 | 0.76 | — | — | |
| SCHEMBL24123678 | 0.72 | — | — | |
| SCHEMBL21917970 | 0.72 | — | — | |
| SCHEMBL24123677 | 0.72 | — | — | |
| SCHEMBL24123809 | 0.72 | — | — | |
| SCHEMBL13856050 | 0.70 | — | — | |
| SCHEMBL24768892 | 0.69 | — | — | |
| SCHEMBL21919197 | 0.69 | — | — | |
| SCHEMBL21815210 | 0.69 | — | — | |
| SCHEMBL13856021 | 0.69 | — | — |
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-20100041717-A1 | N-((3-BENZYL)-2,2-(BIS-PHENYL)-PROPAN-1-AMINE DERIVATIVES AS CETP INHIBITORS FOR THE TREATMENT OF ATHEROSCLEROSIS AND CARDIOVASCULAR DISEASES | BRISTOL-MYERS SQUIBB COMPANY (US) | 2010-02-18 | — | — | US | disclosed |