⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13013079 | 0.72 | TSHR (0.31) | — | |
| SCHEMBL18776220 | 0.69 | — | — | |
| SCHEMBL10229 | 0.69 | — | — | |
| SCHEMBL7859444 | 0.69 | — | — | |
| SCHEMBL5979530 | 0.69 | — | — | |
| SCHEMBL3108680 | 0.67 | — | — | |
| SCHEMBL5169417 | 0.67 | — | — | |
| SCHEMBL10264173 | 0.67 | — | — | |
| SCHEMBL19105194 | 0.67 | — | — | |
| SCHEMBL3390540 | 0.67 | — | — |
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 11 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 |
| US-6254941-B1 | HIGH VOLTAGE HOLDING RATIO; LOW TEMPERATURE | CHISSO CORPORATION (JP) | 2001-07-03 | — | — | US | disclosed |
| EP-0950651-A1 | FLUOROALKYLATED LIQUID-CRYSTAL COMPOUNDS, LIQUID-CRYSTAL COMPOSITIONS, AND LIQUID-CRYSTAL DISPLAY ELEMENTS | CHISSO CORPORATION (JP) | 1999-10-20 | — | — | EP | disclosed |