⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5737490 | 0.69 | — | — | |
| SCHEMBL22135624 | 0.69 | ALDH1A1 (0.31) | — | |
| SCHEMBL22620160 | 0.69 | NOS1 (0.40) | — | |
| SCHEMBL19823688 | 0.69 | — | — | |
| SCHEMBL18814274 | 0.69 | NOS1 (0.40) | — | |
| SCHEMBL689417 | 0.67 | — | — | |
| SCHEMBL19794850 | 0.67 | NOS1 (0.33) | — | |
| SCHEMBL19806113 | 0.66 | NOS1 (0.33) | — | |
| SCHEMBL21442079 | 0.65 | — | — | |
| SCHEMBL12191367 | 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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-106883185-B | Preparation method of 4-chloro-2-trifluoromethylpyrimidine | 重庆博腾制药科技股份有限公司 | 2021-07-09 | — | — | CN | disclosed |
| EP-1885369-B1 | FUSED HETEROCYCLIC COMPOUNDS, AND COMPOSITIONS AND USES THEREOF | EVOTEC AG (DE) | 2015-09-23 | — | — | EP | disclosed |
| WO-2006119504-A2 | FUSED HETEROCYCLIC COMPOUNDS, AND COMPOSITIONS AND USES THEREOF | RENOVIS, INC. (US) | 2006-11-09 | — | — | WO | disclosed |