⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5229917 | 0.76 | DRD1 (0.31) | — | |
| SCHEMBL17159657 | 0.76 | PDE10A (0.32) | — | |
| SCHEMBL28833588 | 0.73 | — | — | |
| SCHEMBL31130780 | 0.71 | — | — | |
| SCHEMBL31532588 | 0.67 | — | — | |
| SCHEMBL30814588 | 0.67 | ESR1 (0.36) | — | |
| SCHEMBL27276961 | 0.66 | NPBWR1 (0.31) | — | |
| SCHEMBL4914745 | 0.64 | — | — | |
| SCHEMBL20001726 | 0.63 | HIF1A (0.41) | — | |
| Hydrochloric Acid SCHEMBL30944657 | 0.62 | CA12 (0.35) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-117440754-A | Novel intermediates for the preparation of perhexiline | UPL有限公司 | 2024-01-23 | — | — | CN | disclosed |
| CN-109641844-A | Modulators of integrated stress pathways | 卡里科生命科学有限责任公司 | 2019-04-16 | — | — | CN | disclosed |
| CN-104059020-B | The preparation method of 1-aryl-5-hydroxypyrazoles | 湖南海利常德农药化工有限公司 | 2016-08-31 | — | — | CN | disclosed |
| CN-104059020-A | Preparation method for 1-aryl-5-hydroxy pyrazol | HUNAN HAILI CHANGDE PESTICIDE & CHEMICAL INDUSTRY CO LTD | 2014-09-24 | — | — | CN | disclosed |
| US-20070148185-A1 | Novel therapeutic target for protozoal diseases | VIRGINIA POLYTECHNIC INSTITUTE AND STATE UNIVERSITY | 2007-06-28 | — | — | US | disclosed |