⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28333139 | 0.98 | — | — | |
| SCHEMBL1917920 | 0.66 | S100A4 (0.34) | — | |
| SCHEMBL1980267 | 0.60 | — | — | |
| SCHEMBL9820301 | 0.60 | — | — | |
| SCHEMBL14372923 | 0.58 | DAPK3 (0.39) | — | |
| SCHEMBL447698 | 0.57 | — | — | |
| SCHEMBL15935565 | 0.57 | — | — | |
| SCHEMBL10196367 | 0.55 | — | — | |
| SCHEMBL11881836 | 0.55 | — | — | |
| SCHEMBL5323960 | 0.54 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9422271-B2 | Pyrimidine compounds as tuberculosis inhibitors | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2016-08-23 | — | — | US | disclosed |
| US-20140249137-A1 | PYRIMIDINE COMPOUNDS AS TUBERCULOSIS INHIBITORS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2014-09-04 | — | — | US | disclosed |
| US-20110053916-A1 | PYRIMIDINE COMPOUNDS AS TUBERCULOSIS INHIBITORS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2011-03-03 | — | — | US | disclosed |
| EP-2076512-A1 | FUSED THIAZOLE DERIVATIVES AS KINASE INHIBITORS | UCB Pharma S.A. (BE) | 2009-07-08 | — | — | EP | disclosed |
| WO-2008044022-A1 | FUSED THIAZOLE DERIVATIVES AS KINASE INHIBITORS | UCB PHARMA S.A. (BE) | 2008-04-17 | — | — | WO | disclosed |