⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL965841 | 1.00 | — | — | |
| SCHEMBL11492798 | 0.73 | ALDH1A1 (0.32) | — | |
| SCHEMBL22380274 | 0.73 | ALDH1A1 (0.32) | — | |
| SCHEMBL20214921 | 0.73 | ALDH1A1 (0.32) | — | |
| SCHEMBL21240996 | 0.73 | — | — | |
| SCHEMBL12340646 | 0.73 | — | — | |
| SCHEMBL18650100 | 0.69 | ALDH1A1 (0.46) | — | |
| SCHEMBL16215013 | 0.69 | KDM4E (0.33) | — | |
| SCHEMBL19618138 | 0.69 | KDM4E (0.33) | — | |
| SCHEMBL24116765 | 0.67 | ALDH1A1 (0.33) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2247577-B2 | METHOD FOR THE REGIOSELECTIVE SYNTHESIS OF 1-ALKYL-3-HALOALKYL-PYRAZOLE-4-CARBOXYLIC ACID DERIVATIVES | BAYER IP GMBH (DE) | 2022-04-27 | — | — | EP | claimed |
| EP-2247577-B1 | METHOD FOR THE REGIOSELECTIVE SYNTHESIS OF 1-ALKYL-3-HALOALKYL-PYRAZOLE-4-CARBOXYLIC ACID DERIVATIVES | BAYER IP GMBH (DE) | 2015-12-23 | — | — | EP | claimed |
| US-8629288-B2 | Method for the regioselective synthesis of 1-alky1-3-haloalkyl-pyrazole-4-carboxylic acid derivatives | BAYER INTELLECTUAL PROPERTY GMBH (DE) | 2014-01-14 | — | — | US | claimed |
| US-20110009642-A1 | Method for the Regioselective Synthesis of 1-Alkyl-3-haloalkyl-pyrazole-4-carboxylic Acid Derivatives | BAYER CROPSCIENCE AG (DE) | 2011-01-13 | — | — | US | claimed |
| EP-2133341-A1 | Method for regioselective synthesis of 1-alkyl-3-haloalkyl-1-pyrazol-4-carbonic acid derivatives | Bayer CropScience AG (DE) | 2009-12-16 | — | — | EP | claimed |
| US-20230218722-A1 | PTH Compounds with Low Peak-To-Trough Ratios | ASCENDIS PHARMA BONE DISEASES AS (DK) | 2023-07-13 | — | — | US | disclosed |
| EP-2247577-B2 | METHOD FOR THE REGIOSELECTIVE SYNTHESIS OF 1-ALKYL-3-HALOALKYL-PYRAZOLE-4-CARBOXYLIC ACID DERIVATIVES | BAYER IP GMBH (DE) | 2022-04-27 | — | — | EP | disclosed |
| EP-2247577-B1 | METHOD FOR THE REGIOSELECTIVE SYNTHESIS OF 1-ALKYL-3-HALOALKYL-PYRAZOLE-4-CARBOXYLIC ACID DERIVATIVES | BAYER IP GMBH (DE) | 2015-12-23 | — | — | EP | disclosed |
| US-8629288-B2 | Method for the regioselective synthesis of 1-alky1-3-haloalkyl-pyrazole-4-carboxylic acid derivatives | BAYER INTELLECTUAL PROPERTY GMBH (DE) | 2014-01-14 | — | — | US | disclosed |
| US-8592605-B2 | Method for the regioselective synthesis of 1-Alkyl-3-haloalkyl-pyrazole-4-carboxylic acid derivatives | BAYER INTELLECTUAL PROPERTY GMBH (DE) | 2013-11-26 | — | — | US | disclosed |
| US-20130197239-A1 | Method for the Regioselective Synthesis of 1-Alkyl-3-Haloalkyl-Pyrazole-4-Carboxylic Acid Derivatives | BAYER CROPSCIENCE AG (DE) | 2013-08-01 | — | — | US | disclosed |
| US-20110009642-A1 | Method for the Regioselective Synthesis of 1-Alkyl-3-haloalkyl-pyrazole-4-carboxylic Acid Derivatives | BAYER CROPSCIENCE AG (DE) | 2011-01-13 | — | — | US | disclosed |
| EP-2133341-A1 | Method for regioselective synthesis of 1-alkyl-3-haloalkyl-1-pyrazol-4-carbonic acid derivatives | Bayer CropScience AG (DE) | 2009-12-16 | — | — | EP | disclosed |