⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14814618 | 0.84 | — | — | |
| SCHEMBL7963244 | 0.79 | — | — | |
| SCHEMBL7962943 | 0.78 | TSHR (0.30) | — | |
| SCHEMBL12040342 | 0.77 | — | — | |
| SCHEMBL7967910 | 0.77 | — | — | |
| SCHEMBL6996797 | 0.73 | — | — | |
| SCHEMBL16315838 | 0.72 | — | — | |
| SCHEMBL22700918 | 0.72 | TSHR (0.37) | — | |
| SCHEMBL7961710 | 0.72 | — | — | |
| SCHEMBL20356692 | 0.70 | NLRP3 (0.30) | — |
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 17 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-6204222-B1 | SUITABLE AS HERBICIDES AND FOR DESICCATION/DEFOLIATION OF PLANTS | BASF AKTIENGESELLSCHAFT (DE) | 2001-03-20 | — | — | US | disclosed |
| EP-0637298-B1 | SUBSTITUTED CYCLOHEXENE-1,2-BICARBOXYLIC ACID DERIVATIVES AND RAW MATERIALS FOR PRODUCING THEM | BASF AG (DE) | 1999-03-31 | — | — | EP | disclosed |
| US-5817603-A | HERBICIDES | BASF AKTIENGESELLSCHAFT (DE) | 1998-10-06 | — | — | US | disclosed |
| US-5602074-A | HERBICIDES; PLANT DESICCATION, DEFOLIATION | BASF AKTIENGESELLSCHAFT (DE) | 1997-02-11 | — | — | US | disclosed |
| EP-0641321-A1 | SUBSTITUTED ISOINDOLONES | BASF Aktiengesellschaft (DE) | 1995-03-08 | — | — | EP | disclosed |
| EP-0637298-A1 | SUBSTITUTED CYCLOHEXENE-1,2-BICARBOXYLIC ACID DERIVATIVES AND RAW MATERIALS FOR PRODUCING THEM | BASF Aktiengesellschaft (DE) | 1995-02-08 | — | — | EP | disclosed |
| WO-1993024456-A1 | SUBSTITUTED ISOINDOLONES | BASF AKTIENGESELLSCHAFT (DE) | 1993-12-09 | — | — | WO | disclosed |
| WO-1993022280-A1 | SUBSTITUTED CYCLOHEXENE-1,2-BICARBOXYLIC ACID DERIVATIVES AND RAW MATERIALS FOR PRODUCING THEM | BASF AKTIENGESELLSCHAFT (DE) | 1993-11-11 | — | — | WO | disclosed |