⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14842503 | 0.77 | MAPT (0.30) | — | |
| SCHEMBL14535435 | 0.72 | — | — | |
| SCHEMBL733164 | 0.72 | — | — | |
| SCHEMBL1561806 | 0.70 | — | — | |
| SCHEMBL16015257 | 0.70 | — | — | |
| SCHEMBL18381510 | 0.70 | — | — | |
| SCHEMBL16069914 | 0.69 | — | — | |
| SCHEMBL2839610 | 0.68 | — | — | |
| SCHEMBL15500762 | 0.68 | — | — | |
| SCHEMBL50169 | 0.67 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2015007516-A1 | NOVEL 5-SUBSTITUTED BENZIMIDAZOLIUM COMPOUNDS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2015-01-22 | — | — | WO | disclosed |