⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7320 | 0.89 | — | — | |
| SCHEMBL1414473 | 0.75 | — | — | |
| SCHEMBL8728 | 0.74 | — | — | |
| SCHEMBL7597 | 0.74 | — | — | |
| SCHEMBL2366411 | 0.74 | — | — | |
| SCHEMBL348908 | 0.72 | — | — | |
| SCHEMBL3547528 | 0.72 | CTSL (0.42) | — | |
| SCHEMBL3542998 | 0.72 | CTSL (0.42) | — | |
| SCHEMBL3548111 | 0.72 | CTSL (0.42) | — | |
| SCHEMBL518260 | 0.72 | CTSL (0.42) | — |
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-20080051578-A1 | SUBSTITUTED BIARYLS, PROCESS FOR THEIR MANUFACTURE AND USE THEREOF AS MEDICAMENTS | DAHMANN GEORG | 2008-02-28 | — | — | US | claimed |
| WO-2007025940-A1 | SUBSTITUTED BIARYLS AND THEIR USE AS FACTOR XA INHIBITORS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2007-03-08 | — | — | WO | claimed |
| US-8044206-B2 | Nitrogen—containing heterocyclic derivatives having 2,6-disubstituted styryl | ASTELLAS PHARMA INC. (JP) | 2011-10-25 | — | — | US | disclosed |
| US-20080051578-A1 | SUBSTITUTED BIARYLS, PROCESS FOR THEIR MANUFACTURE AND USE THEREOF AS MEDICAMENTS | DAHMANN GEORG | 2008-02-28 | — | — | US | disclosed |
| US-20070099956-A1 | Nitrogen-containing heterocyclic derivatives having 2, 6-disubstituted styryl | ASTELLAS PHARMA INC. AND KOTOBUKI PHARMACEUTICAL CO., LTD. | 2007-05-03 | — | — | US | disclosed |
| WO-2007025940-A1 | SUBSTITUTED BIARYLS AND THEIR USE AS FACTOR XA INHIBITORS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2007-03-08 | — | — | WO | disclosed |
| EP-1602645-A1 | NITROGENOUS HETEROCYCLIC DERIVATIVE HAVING 2,6-DISUBSTITUTED STYRYL | Astellas Pharma Inc. (JP) | 2005-12-07 | — | — | EP | disclosed |