⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6318796 | 0.82 | — | — | |
| SCHEMBL6312343 | 0.79 | — | — | |
| SCHEMBL6400762 | 0.76 | — | — | |
| SCHEMBL6321606 | 0.70 | ROCK2 (0.53) | — | |
| SCHEMBL6320333 | 0.65 | ADRA2C (0.49) | — | |
| SCHEMBL6314725 | 0.62 | L3MBTL1 (0.42) | — | |
| SCHEMBL57641 | 0.62 | ALDH1A1 (0.41) | — | |
| SCHEMBL1680621 | 0.61 | — | — | |
| SCHEMBL14365548 | 0.60 | — | — | |
| SCHEMBL28053412 | 0.60 | ALDH1A1 (0.39) | — |
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-20050014810-A1 | Use of substituted 2 phenylbenzimidazoles as medicaments | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2005-01-20 | — | — | US | disclosed |