⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17284148 | 0.90 | — | — | |
| SCHEMBL14698016 | 0.84 | CETP (0.34) | — | |
| SCHEMBL17284152 | 0.83 | — | — | |
| SCHEMBL14697603 | 0.81 | S1PR1 (0.33) | — | |
| SCHEMBL14698162 | 0.81 | AR (0.30) | — | |
| SCHEMBL14698042 | 0.80 | CETP (0.34) | — | |
| SCHEMBL14698063 | 0.80 | CETP (0.34) | — | |
| SCHEMBL17414309 | 0.80 | CETP (0.32) | — | |
| SCHEMBL17284147 | 0.80 | — | — | |
| SCHEMBL14697716 | 0.80 | CETP (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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9199967-B2 | Substituted heterocyclic amine compounds as cholestryl ester-transfer protein (CETP) inhibitors | DR. REDDY'S LABORATORIES LTD. (IN) | 2015-12-01 | — | — | US | claimed |