⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18191 | 0.78 | CYP2C19 (0.42) | — | |
| SCHEMBL2525969 | 0.75 | — | — | |
| Ammonia Solution, Strong SCHEMBL27688316 | 0.74 | CYP2C19 (0.40) | — | |
| Hydrochloric Acid SCHEMBL8858515 | 0.74 | CYP2C19 (0.40) | — | |
| SCHEMBL7964228 | 0.73 | — | — | |
| Fluoride SCHEMBL15313130 | 0.72 | CYP2C19 (0.38) | — | |
| Ethylene SCHEMBL4765785 | 0.72 | CYP2C19 (0.38) | — | |
| Methyl Alcohol SCHEMBL4271767 | 0.72 | CYP2C19 (0.38) | — | |
| Fluoride SCHEMBL732880 | 0.72 | CYP2C19 (0.38) | — | |
| SCHEMBL6177427 | 0.72 | CYP2C19 (0.38) | — |
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 42 patents — showing the first 20. 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 |
| CN-112110944-B | Compound and preparation method and application thereof | 南京谷睿生物科技有限公司 | 2022-02-11 | — | — | CN | disclosed |
| CN-112110944-A | Compound and preparation method and application thereof | 南京谷睿生物科技有限公司 | 2020-12-22 | — | — | CN | 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-9670232-B2 | Molecular precursor compounds for zinc-group 13 mixed oxide materials | TRANSTRON SOLUTIONS LLC (US) | 2017-06-06 | — | — | US | disclosed |
| EP-3102541-A1 | MOLECULAR PRECURSOR COMPOUNDS FOR INDIUM GALLIUM ZINC OXIDE MATERIALS | TRANSTRON SOLUTIONS LLC (US) | 2016-12-14 | — | — | EP | disclosed |
| US-9455142-B2 | Molecular precursor compounds for ABIGZO zinc-group 13 mixed oxide materials | TRANSTRON SOLUTIONS LLC (US) | 2016-09-27 | — | — | US | disclosed |
| US-6204222-B1 | SUITABLE AS HERBICIDES AND FOR DESICCATION/DEFOLIATION OF PLANTS | BASF AKTIENGESELLSCHAFT (DE) | 2001-03-20 | — | — | US | disclosed |
| US-6174887-B1 | Amide compounds and use of the same | JAPAN TOBACCO INC. (JP) | 2001-01-16 | — | — | 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 |
| EP-0849256-A1 | AMIDE COMPOUNDS AND USE OF THE SAME | Japan Tobacco Inc. (JP) | 1998-06-24 | — | — | EP | 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 |