⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1397657 | 0.93 | CENPE (0.30) | — | |
| SCHEMBL1397700 | 0.88 | MCL1 (0.31) | — | |
| SCHEMBL1397377 | 0.88 | C5AR1 (0.31) | — | |
| SCHEMBL1397763 | 0.83 | C5AR1 (0.32) | — | |
| SCHEMBL1397670 | 0.76 | ALDH1A1 (0.31) | — | |
| SCHEMBL1397699 | 0.75 | C5AR1 (0.31) | — | |
| SCHEMBL1397692 | 0.74 | NLRP3 (0.31) | — | |
| SCHEMBL1397598 | 0.71 | GRIN2B (0.31) | — | |
| SCHEMBL1385947 | 0.68 | ESRRG (0.36) | — | |
| SCHEMBL1397829 | 0.67 | CCR9 (0.36) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2007726-B1 | BENZAMIDE AND HETEROARENE DERIVATIVES AS CETP INHIBITORS | HOFFMANN LA ROCHE (CH) | 2011-03-02 | — | — | EP | disclosed |