⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL126786 | 0.93 | — | — | |
| Ammonia Solution, Strong SCHEMBL4348416 | 0.90 | — | — | |
| Ethane SCHEMBL28468880 | 0.90 | — | — | |
| SCHEMBL28256149 | 0.90 | — | — | |
| SCHEMBL7042591 | 0.90 | — | — | |
| Methyl Alcohol SCHEMBL29001109 | 0.90 | — | — | |
| Rubidium SCHEMBL7042595 | 0.90 | — | — | |
| Hydrochloric Acid SCHEMBL2949527 | 0.90 | — | — | |
| SCHEMBL22129974 | 0.90 | — | — | |
| SCHEMBL29078418 | 0.90 | — | — |
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 |