⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1144851 | 0.87 | CYP1A2 (0.35) | — | |
| SCHEMBL6950834 | 0.77 | ALDH1A1 (0.56) | — | |
| SCHEMBL8295 | 0.77 | — | — | |
| SCHEMBL15845571 | 0.77 | — | — | |
| SCHEMBL16279760 | 0.74 | TSHR (0.37) | — | |
| Urea SCHEMBL11495730 | 0.74 | ALDH1A1 (0.47) | — | |
| Methyl Alcohol SCHEMBL15233825 | 0.73 | ALDH1A1 (0.53) | — | |
| SCHEMBL28352291 | 0.73 | — | — | |
| SCHEMBL28824476 | 0.73 | — | — | |
| SCHEMBL28791576 | 0.73 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2022259210-A1 | NOVEL PROCESS FOR PREPARATION OF 1-METHYL-3-(TRIFLUOROMETHYL)-1H-PYRAZOL-5-OL | INCOR RENOVIS PHARMA PRIVATE LIMITED (IN) | 2022-12-15 | — | — | WO | claimed |
| WO-2022259210-A1 | NOVEL PROCESS FOR PREPARATION OF 1-METHYL-3-(TRIFLUOROMETHYL)-1H-PYRAZOL-5-OL | INCOR RENOVIS PHARMA PRIVATE LIMITED (IN) | 2022-12-15 | — | — | WO | disclosed |
| EP-1907372-A1 | SUBSTITUTED CYCLOHEXYL DERIVATIVES AS NK-3 RECEPTOR ANTAGONISTS | MERCK SHARP & DOHME LTD. (GB) | 2008-04-09 | — | — | EP | disclosed |
| WO-2007003965-A1 | SUBSTITUTED CYCLOHEXYL DERIVATIVES AS NK-3 RECEPTOR ANTAGONISTS | MERCK SHARP & DOHME LIMITED (GB) | 2007-01-11 | — | — | WO | disclosed |