⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2392844 | 0.81 | HTR3A (0.37) | — | |
| SCHEMBL2390838 | 0.78 | CDK2 (0.42) | — | |
| SCHEMBL2390834 | 0.78 | CDK2 (0.42) | — | |
| SCHEMBL15821696 | 0.75 | HCAR2 (0.44) | — | |
| SCHEMBL1668054 | 0.74 | HCAR2 (0.52) | — | |
| SCHEMBL170833 | 0.73 | — | — | |
| SCHEMBL23590371 | 0.71 | TNIK (0.49) | — | |
| SCHEMBL666117 | 0.71 | HCAR3 (0.49) | — | |
| SCHEMBL4058634 | 0.70 | PLA2G10 (0.43) | — | |
| SCHEMBL17351607 | 0.70 | HCAR2 (0.42) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20220380341-A1 | INHIBITORS OF HIV-1 NEF FOR THE TREATMENT OF HIV DISEASE | UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) | 2022-12-01 | — | — | US | disclosed |
| US-5998334-A | Pyrazole compounds, processes for their production and herbicides containing them | ISHIHARA SANGYO KAISHA LTD. (JP) | 1999-12-07 | — | — | US | disclosed |
| CN-1216535-A | Pyrazole compounds, processes for their production and herbicides containing them | ISHIHARA SANGYO KAISHA (JP) | 1999-05-12 | — | — | CN | disclosed |
| EP-0900205-A1 | PYRAZOLE COMPOUNDS, PROCESSES FOR THEIR PRODUCTION AND HERBICIDES CONTAINING THEM | ISHIHARA SANGYO KAISHA, LTD. (JP) | 1999-03-10 | — | — | EP | disclosed |
| WO-1997041106-A1 | PYRAZOLE COMPOUNDS, PROCESSES FOR THEIR PRODUCTION AND HERBICIDES CONTAINING THEM | ISHIHARA SANGYO KAISHA LTD. (JP) | 1997-11-06 | — | — | WO | disclosed |