⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL584282 | 0.98 | ESR2 (0.30) | — | |
| SCHEMBL21909269 | 0.83 | NOS1 (0.35) | — | |
| SCHEMBL15077808 | 0.80 | — | — | |
| SCHEMBL21241999 | 0.80 | — | — | |
| SCHEMBL11936451 | 0.78 | — | — | |
| SCHEMBL1983631 | 0.78 | — | — | |
| SCHEMBL14733413 | 0.78 | — | — | |
| SCHEMBL8346690 | 0.78 | — | — | |
| SCHEMBL1985662 | 0.78 | — | — | |
| Hydrochloric Acid SCHEMBL4285468 | 0.75 | SLC6A2 (0.31) | — |
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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1797077-B1 | BENZIMIDAZOLE DERIVATIVES, COMPOSITIONS CONTAINING THEM, PREPARATION THEREOF AND USES THEREOF I | ASTRAZENECA AB (SE) | 2012-02-15 | — | — | EP | disclosed |
| US-20110086853-A1 | Therapeutic Compounds | BROWN WILLIAM | 2011-04-14 | — | — | US | disclosed |
| US-20110086853-A1 | Therapeutic Compounds | BROWN WILLIAM | 2011-04-14 | — | — | US | disclosed |
| US-7615642-B2 | Therapeutic compounds | ASTRAZENECA AB (SE) | 2009-11-10 | — | — | US | disclosed |
| US-7615642-B2 | Therapeutic compounds | ASTRAZENECA AB (SE) | 2009-11-10 | — | — | US | disclosed |
| US-20090221657-A1 | Compounds, Compositions Containing Them, Preparation Thereof and Uses Thereof I | ASTRAZENECA AB (SE) | 2009-09-03 | — | — | US | disclosed |
| US-20090221657-A1 | Compounds, Compositions Containing Them, Preparation Thereof and Uses Thereof I | ASTRAZENECA AB (SE) | 2009-09-03 | — | — | US | disclosed |
| US-7550495-B2 | Compounds, compositions containing them, preparation thereof and uses thereof I | ASTRAZENECA AB (SE) | 2009-06-23 | — | — | US | disclosed |
| US-7550495-B2 | Compounds, compositions containing them, preparation thereof and uses thereof I | ASTRAZENECA AB (SE) | 2009-06-23 | — | — | US | disclosed |
| WO-2007120101-A1 | BENZIMIDAZOLE 5-SULFONAMIDE DERIVATIVES AS CANNABINOID 1 (CB1) RECEPTOR LIGANDS | ASTRAZENECA AB (SE) | 2007-10-25 | — | — | WO | disclosed |
| US-20070244092-A1 | N-Cyclopropyl-1-{[2-(1,1-difluoroethyl)-1-(tetrahydro-2H-pyran-4-ylmethyl)-1H-benzimidazol-5-yl]sulfonyl}-1H-pyrrole-3-carboxamide; for pain management | ASTRAZENECA AB (SE) | 2007-10-18 | — | — | US | disclosed |
| US-20070244092-A1 | N-Cyclopropyl-1-{[2-(1,1-difluoroethyl)-1-(tetrahydro-2H-pyran-4-ylmethyl)-1H-benzimidazol-5-yl]sulfonyl}-1H-pyrrole-3-carboxamide; for pain management | ASTRAZENECA AB (SE) | 2007-10-18 | — | — | US | disclosed |