⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8393148 | 0.76 | — | — | |
| SCHEMBL9428 | 0.71 | — | — | |
| SCHEMBL20274350 | 0.67 | — | — | |
| SCHEMBL2771486 | 0.67 | — | — | |
| SCHEMBL21603107 | 0.67 | — | — | |
| SCHEMBL2863121 | 0.67 | — | — | |
| SCHEMBL30470 | 0.62 | — | — | |
| SCHEMBL2466745 | 0.62 | — | — | |
| SCHEMBL30471 | 0.62 | — | — | |
| SCHEMBL18404458 | 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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2019196731-A1 | SUBSTITUTED PYRAZOLYL PYRAZOLE SULFONYLUREA COMPOUND OR PESTICIDE ACCEPTABLE SALT OR COMPOSITION THEREOF AND USE THEREOF | 海利尔药业集团股份有限公司 | 2019-10-17 | — | — | WO | disclosed |
| US-8022205-B2 | Pyrimidine derivatives as PI3K inhibitor and use thereof | CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) | 2011-09-20 | — | — | US | disclosed |
| US-20100069629-A1 | PYRIMIDINE DERIVATIVES AS PI3K INHIBITOR AND USE THEREOF | CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) | 2010-03-18 | — | — | US | disclosed |