⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8731 | 1.00 | — | — | |
| SCHEMBL4536882 | 0.94 | — | — | |
| SCHEMBL10486847 | 0.94 | — | — | |
| Ammonia Solution, Strong SCHEMBL917369 | 0.94 | — | — | |
| Hydrochloric Acid SCHEMBL9833805 | 0.94 | — | — | |
| SCHEMBL11243979 | 0.94 | — | — | |
| Ammonia Solution, Strong SCHEMBL6028938 | 0.94 | — | — | |
| SCHEMBL14920943 | 0.94 | — | — | |
| SCHEMBL62663 | 0.94 | — | — | |
| SCHEMBL4443012 | 0.94 | — | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2941420-A1 | (4E)-4-(4-SUBSTITUTED BENZYLIDENEAMINO)-2,3-DIHYDRO-3- SUBSTITUTED-2-THIOXOTHIAZOLE-5-CARBONITRILES AS A2AR ANTAGONIST AND PROCESS FOR PREPARATION THEREOF | Council of Scientific & Industrial Research (IN) | 2015-11-11 | — | — | EP | disclosed |
| US-20140329814-A2 | Compositions for Treatment of Cystic Fibrosis and Other Chronic Diseases | VERTEX PHARMA (US) | 2014-11-06 | — | — | US | disclosed |
| WO-2014106861-A1 | (4E)-4-(4-SUBSTITUTED BENZYLIDENEAMINO)-2,3-DIHYDRO-3- SUBSTITUTED-2-THIOXOTHIAZOLE-5-CARBONITRILES AS A2AR ANTAGONIST AND PROCESS FOR PREPARATION THEREOF | COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) | 2014-07-10 | — | — | WO | disclosed |
| EP-0852595-A1 | MESOSCOPIC ORGANOPOLYSILOXANE PARTICLES WITH CHEMICALLY BOUND METALLIC COMPOUNDS | Wacker-Chemie GmbH (DE) | 1998-07-15 | — | — | EP | disclosed |
| WO-1997011984-A1 | MESOSCOPIC ORGANOPOLYSILOXANE PARTICLES WITH CHEMICALLY BOUND METALLIC COMPOUNDS | WACKER-CHEMIE GMBH (DE) | 1997-04-03 | — | — | WO | disclosed |
| US-3944557-A | FUNGICIDE | COMMONWEALTH SCIENTIFIC & INDUSTRIAL RESEARCH ORGANIZATION (AU) | 1976-03-16 | — | — | US | disclosed |