⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16469485 | 0.78 | APLNR (0.33) | — | |
| SCHEMBL16469544 | 0.70 | — | — | |
| SCHEMBL21078342 | 0.67 | NPC1 (0.32) | — | |
| SCHEMBL19014326 | 0.67 | ALDH1A1 (0.30) | — | |
| SCHEMBL15125218 | 0.64 | APLNR (0.54) | — | |
| SCHEMBL11638258 | 0.64 | — | — | |
| SCHEMBL16469141 | 0.62 | NLRP3 (0.48) | — | |
| SCHEMBL15125182 | 0.62 | POLB (0.50) | — | |
| SCHEMBL19316018 | 0.60 | CYP2C19 (0.36) | — | |
| SCHEMBL13097057 | 0.59 | APLNR (0.37) | — |
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-9974775-B2 | Substituted imidazoles as N-type calcium channel blockers | JANSSEN PHARMACEUTICA NV (BE) | 2018-05-22 | — | — | US | disclosed |