⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL460923 | 0.77 | TSHR (0.42) | — | |
| SCHEMBL18699228 | 0.76 | CYP3A4 (0.39) | — | |
| SCHEMBL967670 | 0.70 | — | — | |
| SCHEMBL497965 | 0.70 | — | — | |
| SCHEMBL2655451 | 0.70 | — | — | |
| SCHEMBL967673 | 0.70 | — | — | |
| SCHEMBL11611554 | 0.69 | — | — | |
| SCHEMBL2370131 | 0.69 | ALDH1A1 (0.37) | — | |
| SCHEMBL12674137 | 0.69 | MLYCD (0.36) | — | |
| SCHEMBL497964 | 0.69 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7700638-B2 | 1,5,7-trisubstituted benzimidazole derivatives and their use for modulating the GABAA receptor complex | N. V. ORGANON (NL) | 2010-04-20 | — | — | US | disclosed |
| US-20070021482-A1 | 1,5,7-Trisubstituted benzimidazole derivatives and their use for modulating the gabaa receptor complex | N.V. ORGANON (NL) | 2007-01-25 | — | — | US | disclosed |
| EP-1678144-A1 | 1,5,7-TRISUBSTITUTED BENZIMIDAZOLE DERIVATIVES AND THEIR USE FOR MODULATING THE GABA-a RECEPTOR COMPLEX | Akzo Nobel N.V. (NL) | 2006-07-12 | — | — | EP | disclosed |
| WO-2005040131-A1 | 1,5,7-TRISUBSTITUTED BENZIMIDAZOLE DERIVATIVES AND THEIR USE FOR MODULATING THE GABAA RECEPTOR COMPLEX | AKZO NOBEL N.V. (NL) | 2005-05-06 | — | — | WO | disclosed |