⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7861061 | 0.72 | — | — | |
| SCHEMBL5693 | 0.71 | — | — | |
| SCHEMBL2297967 | 0.69 | — | — | |
| SCHEMBL8445908 | 0.67 | ALDH1A1 (0.40) | — | |
| SCHEMBL6834910 | 0.64 | — | — | |
| SCHEMBL18543742 | 0.64 | — | — | |
| SCHEMBL20274346 | 0.64 | — | — | |
| SCHEMBL20976952 | 0.64 | — | — | |
| SCHEMBL6834908 | 0.64 | — | — | |
| SCHEMBL41387 | 0.62 | — | — |
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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20230348438-A1 | PYRAZOLE COMPOUND AND PHARMACEUTICAL USE THEREOF | JAPAN TOBACCO INC. (JP) | 2023-11-02 | — | — | US | disclosed |
| US-20200317644-A1 | PYRAZOLE COMPOUND AND PHARMACEUTICAL USE THEREOF | JAPAN TOBACCO INC (JP) | 2020-10-08 | — | — | US | disclosed |
| EP-3524599-A1 | PYRAZOLE COMPOUND AND PHARMACEUTICAL USE THEREOF | Japan Tobacco Inc. (JP) | 2019-08-14 | — | — | EP | disclosed |
| US-20180346449-A1 | PYRAZOLE COMPOUND AND PHARMACEUTICAL USE THEREOF | JAPAN TOBACCO INC (JP) | 2018-12-06 | — | — | US | disclosed |
| EP-3199533-A1 | PYRAZOLE COMPOUND AND PHARMACEUTICAL USE THEREOF | Japan Tobacco Inc. (JP) | 2017-08-02 | — | — | EP | disclosed |
| US-20150183763-A1 | PYRAZOLE COMPOUND AND PHARMACEUTICAL USE THEREOF | JAPAN TOBACCO INC (JP) | 2015-07-02 | — | — | US | disclosed |
| EP-2784074-A1 | PYRAZOLE COMPOUND AND USE THEREOF FOR MEDICAL PURPOSES | Japan Tobacco, Inc. (JP) | 2014-10-01 | — | — | EP | disclosed |
| US-8846746-B2 | Pyrazole compound and pharmaceutical use thereof | JAPAN TOBACCO INC. (JP) | 2014-09-30 | — | — | US | disclosed |
| US-20130085132-A1 | PYRAZOLE COMPOUND AND PHARMACEUTICAL USE THEREOF | JAPAN TOBACCO INC. (JP) | 2013-04-04 | — | — | US | disclosed |
| EP-0513397-B1 | BENZOHYDROXIMOYLAZOLE DERIVATIVE, PRODUCTION THEREOF AND INSECTICIDE | KUMIAI CHEMICAL INDUSTRY CO (JP) | 1999-04-14 | — | — | EP | disclosed |
| US-5366988-A | Insecticides or aphidicides | KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) | 1994-11-22 | — | — | US | disclosed |
| EP-0513397-A1 | BENZOHYDROXIMOYLAZOLE DERIVATIVE, PRODUCTION THEREOF AND INSECTICIDE | KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) | 1992-11-19 | — | — | EP | disclosed |