⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27481985 | 0.71 | — | — | |
| SCHEMBL11772098 | 0.71 | — | — | |
| SCHEMBL287180 | 0.69 | — | — | |
| SCHEMBL6218042 | 0.67 | NAMPT (0.32) | — | |
| SCHEMBL1644258 | 0.64 | — | — | |
| SCHEMBL17599206 | 0.64 | — | — | |
| SCHEMBL17599199 | 0.64 | — | — | |
| SCHEMBL5640984 | 0.62 | — | — | |
| SCHEMBL17599193 | 0.62 | — | — | |
| SCHEMBL8671099 | 0.62 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-9174997-B2 | 4-(4-cyano-2-thioaryl)dihydropyrimidinones and use thereof | BAYER INTELLECTUAL PROPERTY GMBH (DE) | 2015-11-03 | — | — | US | disclosed |
| US-20150045344-A1 | 4-(4-CYANO-2-THIOARYL)DIHYDROPYRIMIDINONES AND USE THEREOF | PH PHARMA CO., LTD. (KR) | 2015-02-12 | — | — | US | disclosed |
| US-8889700-B2 | 4-(4-cyano-2-thioaryl)dihydropyrimidinones and their use | BAYER INTELLECTUAL PROPERTY GMBH (DE) | 2014-11-18 | — | — | US | disclosed |
| US-20140045802-A1 | 4-(4-CYANO-2-THIOARYL)DIHYDROPYRIMIDINONES AND THEIR USE | BAYER INTELLECTUAL PROPERTY GMBH (DE) | 2014-02-13 | — | — | US | disclosed |
| US-8288402-B2 | 4-(4-cyano-2-thioaryl)dihydropyrimidinones and their use | BAYER INTELLECTUAL PROPERTY GMBH (DE) | 2012-10-16 | — | — | US | disclosed |
| US-20110034433-A1 | 4-(4-CYANO-2-THIOARYL)DIHYDROPYRIMIDINONES AND THEIR USE | BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) | 2011-02-10 | — | — | US | disclosed |