⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24445927 | 0.65 | PIM1 (0.32) | — | |
| SCHEMBL7830998 | 0.61 | — | — | |
| SCHEMBL17713603 | 0.61 | KDM4E (0.31) | — | |
| SCHEMBL7996762 | 0.59 | S100A4 (0.36) | — | |
| SCHEMBL12315070 | 0.56 | — | — | |
| SCHEMBL11684357 | 0.56 | S100A4 (0.32) | — | |
| SCHEMBL6758482 | 0.54 | — | — | |
| SCHEMBL5115934 | 0.48 | — | — | |
| SCHEMBL21443828 | 0.47 | S100A4 (0.43) | — | |
| SCHEMBL15561404 | 0.47 | S100A4 (0.30) | — |
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-20140018380-A1 | BICYCLIC HETEROARYL COMPOUNDS AS GPR119 RECEPTOR AGONISTS | CENTAURUS BIOPHARMA CO., LTD. (CN) | 2014-01-16 | — | — | US | disclosed |
| EP-2670746-A1 | BICYCLIC HETEROARYL COMPOUNDS AS GPR119 RECEPTOR AGONISTS | Centaurus Biopharma Co., Ltd. (CN) | 2013-12-11 | — | — | EP | disclosed |
| WO-2012103806-A1 | BICYCLIC HETEROARYL COMPOUNDS AS GPR119 RECEPTOR AGONISTS | CENTAURUS BIOPHARMA CO., LTD. (CN) | 2012-08-09 | — | — | WO | disclosed |
| US-6284789-B1 | TETRAHYDRONAPHTHALENE DERIVATIVES OF ALPHA-CONINDENDRIN, BETA-CONINDENDRIN, SIKKIMOTOXIN, AND PODOPHYLLOTOXIN HAVING AT LEAST ONE METHYLENEOXY BRIDGE WHEREIN THE OXYGEN ATOM EXTENDS TO THE BENZHYDRYLIC CARBON ATOM; ANTICANCER AGENTS | THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK | 2001-09-04 | — | — | US | disclosed |