⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14814551 | 0.80 | — | — | |
| SCHEMBL14814436 | 0.78 | — | — | |
| SCHEMBL515549 | 0.72 | — | — | |
| SCHEMBL179830 | 0.69 | — | — | |
| SCHEMBL5567448 | 0.67 | — | — | |
| SCHEMBL8100711 | 0.67 | — | — | |
| SCHEMBL9343491 | 0.67 | APEX1 (0.33) | — | |
| SCHEMBL51350 | 0.67 | — | — | |
| SCHEMBL330742 | 0.67 | — | — | |
| SCHEMBL7590120 | 0.65 | — | — |
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 13 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4719053-A | FOR DYES | HOECHST AKTIENGESELLSCHAFT (DE) | 1988-01-12 | — | — | US | claimed |
| 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-5571682-A | REDUCING INTERFERENT BIAS SUCH AS HEMOGLOBIN | JOHNSON & JOHNSON CLINICAL DIAGNOSTICS, INC. (US) | 1996-11-05 | — | — | US | disclosed |
| US-4719053-A | FOR DYES | HOECHST AKTIENGESELLSCHAFT (DE) | 1988-01-12 | — | — | US | disclosed |
| US-4473498-A | Water-soluble, fiber-reactive organic dyestuffs containing a β-chloro-ethylsulfonyl-methyl-benzoic acid amide group | HOECHST AKTIENGESELLSCHAFT (DE) | 1984-09-25 | — | — | US | disclosed |