⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13104142 | 0.77 | ALDH1A1 (0.32) | — | |
| SCHEMBL10625580 | 0.75 | KDM4E (0.30) | — | |
| SCHEMBL10289789 | 0.71 | CHRM2 (0.34) | — | |
| SCHEMBL321052 | 0.69 | — | — | |
| SCHEMBL25035428 | 0.67 | CHRM2 (0.35) | — | |
| SCHEMBL10248364 | 0.67 | — | — | |
| SCHEMBL21488420 | 0.67 | — | — | |
| SCHEMBL28488909 | 0.67 | CHRM2 (0.41) | — | |
| SCHEMBL11181734 | 0.65 | ALDH1A1 (0.33) | — | |
| SCHEMBL10716641 | 0.65 | — | — |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2751084-B1 | PYRIMIDINE CARBOXAMIDE DERIVATIVES | EUDIS BIOTECH LLC (CN) | 2016-09-21 | — | — | EP | disclosed |
| CN-103917526-B | Pyrimidine carboxamide derivatives | 南京优迪生物医药有限公司 | 2016-08-24 | — | — | CN | disclosed |
| EP-2834223-A2 | (1,2,3-TRIAZOLYL) SULFONYL DERIVATIVES | Apac Pharmaceutical LLC. (US) | 2015-02-11 | — | — | EP | disclosed |
| US-8853248-B2 | (1,2,3-triazolyl)sulfonyl derivatives | MAEHR HUBERT (US) | 2014-10-07 | — | — | US | disclosed |
| EP-2751084-A1 | PYRIMIDINE CARBOXAMIDE DERIVATIVES | Apac Pharmaceutical LLC. (US) | 2014-07-09 | — | — | EP | disclosed |
| US-8580805-B2 | Pyrimidine carboxamide derivatives | MAEHR HUBERT (US) | 2013-11-12 | — | — | US | disclosed |
| US-20130267568-A1 | (1,2,3-Triazolyl)sulfonyl Derivatives | MAEHR HUBERT (US) | 2013-10-10 | — | — | US | disclosed |
| WO-2013151597-A2 | (1,2,3-TRIAZOLYL) SULFONYL DERIVATIVES | APAC PHARMACEUTICAL LLC. (US) | 2013-10-10 | — | — | WO | disclosed |
| WO-2013032522-A1 | PYRIMIDINE CARBOXAMIDE DERIVATIVES | APAC PHARMACEUTICAL LLC. (US) | 2013-03-07 | — | — | WO | disclosed |
| US-20120053346-A1 | Pyrimidine Carboxamide Derivatives | MAEHR HUBERT (US) | 2012-03-01 | — | — | US | disclosed |