⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL119227 | 0.71 | — | — | |
| SCHEMBL10002194 | 0.71 | NOS1 (0.55) | — | |
| SCHEMBL2782064 | 0.69 | — | — | |
| SCHEMBL1908172 | 0.67 | — | — | |
| SCHEMBL2373016 | 0.67 | — | — | |
| SCHEMBL160815 | 0.67 | — | — | |
| SCHEMBL15600059 | 0.67 | — | — | |
| SCHEMBL2642737 | 0.67 | — | — | |
| SCHEMBL9942580 | 0.67 | — | — | |
| SCHEMBL2629401 | 0.67 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2021062327-A1 | FUSED PYRIMIDINE COMPOUNDS, COMPOSITIONS AND MEDICINAL APPLICATIONS THEREOF | JUBILANT BIOSYS LIMITED (IN) | 2021-04-01 | — | — | WO | disclosed |
| EP-2050749-B1 | PYRIMIDINE DERIVATIVE AS PI3K INHIBITOR AND USE THEREOF | CHUGAI PHARMACEUTICAL CO LTD (JP) | 2017-11-22 | — | — | EP | disclosed |
| WO-2017044858-A2 | INHIBITORS OF CYCLIN-DEPENDENT KINASES | DANA-FARBER CANCER INSTITUTE, INC. (US) | 2017-03-16 | — | — | WO | disclosed |
| US-9090601-B2 | Thiazole derivatives | MILLENNIUM PHARMACEUTICALS, INC. (US) | 2015-07-28 | — | — | US | disclosed |
| US-20110003807-A1 | Thiazole derivatives | MILLENNIUM PHARMACEUTICALS, INC. (US) | 2011-01-06 | — | — | US | disclosed |