⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL25297698 | 0.72 | IDO1 (0.33) | — | |
| SCHEMBL324748 | 0.70 | SMN1; SMN2 (0.32) | — | |
| SCHEMBL1404502 | 0.70 | MAPT (0.36) | — | |
| SCHEMBL482253 | 0.70 | CYP1A2 (0.42) | — | |
| SCHEMBL28719124 | 0.70 | ALDH1A1 (0.32) | — | |
| SCHEMBL3629164 | 0.67 | IDO1 (0.48) | — | |
| SCHEMBL2051644 | 0.65 | ALDH1A1 (0.32) | — | |
| SCHEMBL5603177 | 0.65 | SMN1; SMN2 (0.35) | — | |
| SCHEMBL5603759 | 0.65 | PTPN1 (0.31) | — | |
| SCHEMBL5602932 | 0.64 | NPC1 (0.41) | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20030008832-A1 | Method of inhibiting neoplastic cells with benzimidazole derivatives | OSI PHARMACEUTICALS, INC. | 2003-01-09 | — | — | US | disclosed |
| CN-1074413-C | Novel benzimidazole derivatives having CGMP-phosphodisterase inhibiting activity | OTSUKA PHARMA CO LTD (JP) | 2001-11-07 | — | — | CN | disclosed |
| EP-0779887-B1 | NOVEL BENZIMIDAZOLE DERIVATIVES HAVING CGMP-PHOSPHODIESTERASE INHIBITING ACTIVITY | OTSUKA PHARMA CO LTD (JP) | 2001-05-23 | — | — | EP | disclosed |
| US-5998437-A | ARTERIOSCLEROSIS | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 1999-12-07 | — | — | US | disclosed |
| CN-1158129-A | Novel benzimidazole derivatives having CGMP-phosphodisterase inhibiting activity | OTSUKA PHARMA CO LTD (JP) | 1997-08-27 | — | — | CN | disclosed |
| EP-0779887-A1 | NOVEL BENZIMIDAZOLE DERIVATIVES HAVING CGMP-PHOSPHODISTERASE INHIBITING ACTIVITY | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 1997-06-25 | — | — | EP | disclosed |
| WO-1997003070-A1 | NOVEL BENZIMIDAZOLE DERIVATIVES HAVING CGMP-PHOSPHODISTERASE INHIBITING ACTIVITY | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 1997-01-30 | — | — | WO | disclosed |