⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9021546 | 0.95 | CYP2C19 (0.37) | — | |
| SCHEMBL16982375 | 0.93 | CYP2C19 (0.40) | — | |
| Hydrochloric Acid SCHEMBL9022156 | 0.93 | CYP2C19 (0.36) | — | |
| SCHEMBL10419433 | 0.93 | CYP2C19 (0.40) | — | |
| SCHEMBL8551055 | 0.93 | CYP2C19 (0.40) | — | |
| SCHEMBL7022546 | 0.91 | — | — | |
| SCHEMBL5664401 | 0.91 | — | — | |
| SCHEMBL7032626 | 0.91 | FAAH (0.31) | — | |
| SCHEMBL28600908 | 0.83 | — | — | |
| SCHEMBL15675537 | 0.83 | MAPK1 (0.37) | — |
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-114401952-A | Substituted cycloalkyl compounds as modulators of integrated stress pathways | 卡里科生命科学有限责任公司 | 2022-04-26 | — | — | CN | disclosed |
| CN-109721539-A | Pyrazole amide analog derivative and its preparation method and application | 天津药物研究院有限公司 | 2019-05-07 | — | — | CN | disclosed |
| WO-2015007453-A1 | MICROBIOCIDAL HETEROBICYCLIC DERIVATIVES | SYNGENTA PARTICIPATIONS AG (CH) | 2015-01-22 | — | — | WO | disclosed |