⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11420003 | 0.73 | AKR1B1 (0.42) | — | |
| SCHEMBL2690986 | 0.72 | — | — | |
| SCHEMBL5109989 | 0.72 | — | — | |
| SCHEMBL2034915 | 0.70 | — | — | |
| SCHEMBL3697681 | 0.70 | — | — | |
| SCHEMBL2981174 | 0.70 | — | — | |
| SCHEMBL8013847 | 0.70 | — | — | |
| SCHEMBL2824560 | 0.67 | CYP2A6 (0.31) | — | |
| SCHEMBL5104355 | 0.67 | LTB4R (0.36) | — | |
| SCHEMBL7366283 | 0.67 | CYP2A6 (0.33) | — |
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-9365540-B2 | Benzimidazole derivatives as MCH receptor antagonists | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2016-06-14 | — | — | US | disclosed |
| EP-2802571-A1 | BENZIMIDAZOLE DERIVATIVES AS MCH RECEPTOR ANTAGONISTS | Takeda Pharmaceutical Company Limited (JP) | 2014-11-19 | — | — | EP | disclosed |
| WO-2013105676-A1 | BENZIMIDAZOLE DERIVATIVES AS MCH RECEPTOR ANTAGONISTS | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2013-07-18 | — | — | WO | disclosed |
| WO-2012075678-A1 | SUBSTITUTED THIAZOLYL PYRAZOLO PYRIDINE COMPOUND AND MEDICINAL USE THEREOF | 中国人民解放军军事医学科学院毒物药物研究所 (CN) | 2012-06-14 | — | — | WO | disclosed |