⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11150202 | 0.93 | — | — | |
| SCHEMBL4028306 | 0.90 | — | — | |
| SCHEMBL13010612 | 0.90 | ALDH1A1 (0.55) | — | |
| SCHEMBL28302464 | 0.83 | ALDH1A1 (0.42) | — | |
| SCHEMBL22833217 | 0.75 | — | — | |
| SCHEMBL28295904 | 0.73 | — | — | |
| SCHEMBL22121735 | 0.72 | — | — | |
| SCHEMBL872152 | 0.72 | ALDH1A1 (0.81) | — | |
| SCHEMBL27770712 | 0.72 | ALDH1A1 (0.53) | — | |
| SCHEMBL13010100 | 0.71 | ALDH1A1 (0.36) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3256450-B1 | SUBSTITUTED PYRAZOLE COMPOUNDS AS ROR-GAMMA-T INHIBITORS AND USES THEREOF | MERCK SHARP & DOHME (US) | 2020-12-02 | — | — | EP | disclosed |
| CN-106892813-A | A kind of method that difluoro chloracetyl chloride is prepared by gas phase photooxidation reaction | 浙江蓝天环保高科技股份有限公司 | 2017-06-27 | — | — | CN | disclosed |