⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12993299 | 0.73 | MAOA (0.34) | — | |
| SCHEMBL21428327 | 0.70 | — | — | |
| SCHEMBL21693585 | 0.61 | ALOX5 (0.31) | — | |
| SCHEMBL14240407 | 0.59 | DRD2 (0.38) | — | |
| SCHEMBL18325979 | 0.57 | CYP2A6 (0.36) | — | |
| SCHEMBL22892697 | 0.56 | MAOA (0.36) | — | |
| SCHEMBL17885009 | 0.55 | GAA (0.35) | — | |
| SCHEMBL19114788 | 0.55 | MAOA (0.34) | — | |
| SCHEMBL19752451 | 0.55 | NOS3 (0.31) | — | |
| SCHEMBL19752408 | 0.54 | — | — |
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-3053918-B1 | 2-carbazole substituted benzimidazoles for electronic applications | IDEMITSU KOSAN CO (JP) | 2018-04-11 | — | — | EP | disclosed |