⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9416877 | 0.91 | — | — | |
| SCHEMBL3699545 | 0.80 | — | — | |
| SCHEMBL37603 | 0.80 | — | — | |
| SCHEMBL11593833 | 0.78 | — | — | |
| SCHEMBL419917 | 0.76 | CCR2 (0.31) | — | |
| SCHEMBL16246596 | 0.74 | CCR2 (0.36) | — | |
| SCHEMBL27467506 | 0.68 | NISCH (0.34) | — | |
| SCHEMBL22510032 | 0.68 | CCR2 (0.39) | — | |
| SCHEMBL56810 | 0.67 | — | — | |
| SCHEMBL11738873 | 0.67 | MAPT (0.36) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-110291090-A | Bentyl as novel jak kinase inhibitor | 利奥制药有限公司 | 2019-09-27 | — | — | CN | claimed |
| CN-107074804-A | Carbazole derivates | 百时美施贵宝公司 | 2017-08-18 | — | — | CN | claimed |
| CN-110291090-A | Bentyl as novel jak kinase inhibitor | 利奥制药有限公司 | 2019-09-27 | — | — | CN | disclosed |
| CN-105085525-B | Isoquinolin sulfonyl derivative as RHO kinase inhibitor | 南京明德新药研发股份有限公司 | 2019-01-04 | — | — | CN | disclosed |
| CN-107074804-A | Carbazole derivates | 百时美施贵宝公司 | 2017-08-18 | — | — | CN | disclosed |
| US-5834499-A | TREATING GASTROINTESTINAL DISORDERS | YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) | 1998-11-10 | — | — | US | disclosed |
| EP-0749966-A1 | 5-HT 3 RECEPTOR AGONIST, NOVEL THIAZOLE DERIVATIVE, AND INTERMEDIATE THEREFOR | YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) | 1996-12-27 | — | — | EP | disclosed |