⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL201118 | 0.73 | — | — | |
| SCHEMBL14084958 | 0.71 | — | — | |
| SCHEMBL159141 | 0.69 | — | — | |
| Ammonia Solution, Strong SCHEMBL30818581 | 0.69 | — | — | |
| SCHEMBL963323 | 0.69 | — | — | |
| SCHEMBL1338493 | 0.67 | — | — | |
| SCHEMBL2378358 | 0.67 | — | — | |
| Apaflurane SCHEMBL19860 | 0.67 | ALDH1A1 (0.33) | — | |
| Apaflurane SCHEMBL17867718 | 0.63 | ALDH1A1 (0.31) | — | |
| Apaflurane SCHEMBL7649343 | 0.63 | ALDH1A1 (0.31) | — |
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 43 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3068769-B1 | PROCESS FOR PREPARING 3,5-BIS(HALOALKYL)PYRAZOLE DERIVATIVES FROM ALPHA, APLHA-DIHALOAMINES | BAYER CROPSCIENCE AG (DE) | 2017-08-30 | — | — | EP | claimed |
| US-9518025-B2 | Process for preparing 3,5-bis(haloalkyl)pyrazole derivatives from a,a-dihaloamines | BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) | 2016-12-13 | — | — | US | claimed |
| US-20160289193-A1 | PROCESS FOR PREPARING 3,5-BIS(HALOALKYL)PYRAZOLE DERIVATIVES FROM a,a-DIHALOAMINES | BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) | 2016-10-06 | — | — | US | claimed |
| EP-2114855-B1 | METHOD FOR PRODUCING DIHALO ACETOACETIC ALKYL ESTERS | BAYER IP GMBH (DE) | 2016-07-27 | — | — | EP | claimed |
| US-8044231-B2 | Method for producing dihalo acetoacetic alkyl esters | BAYER CROPSCIENCE AG (DE) | 2011-10-25 | — | — | US | claimed |
| US-20100121095-A1 | METHOD FOR PRODUCING DIHALO ACETOACETIC ALKYL ESTERS | BAYER CROPSCIENCE AG (DE) | 2010-05-13 | — | — | US | claimed |
| 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 |
| US-20210253533-A1 | DISUBSTITUTED 5(3)-PYRAZOLE CARBOXYLATES AND A PROCESS FOR THEIR PREPARATION FROM ENOLATES AND FLUOROALKYLAMINOREAGENTS (FAR) REAGENTS | BAYER AG (DE) | 2021-08-19 | — | — | US | disclosed |
| EP-3312161-B1 | METHOD FOR PREPARING PYRAZOLECARBOXYLIC ACID DERIVATIVE, AND INTERMEDIATE THEREOF | ZHEJIANG YONGTAI TECHNOLOGY CO LTD (CN) | 2020-11-04 | — | — | EP | disclosed |
| US-10407413-B2 | Method for preparing pyrazolecarboxylic acid derivative, and intermediate thereof | ZHEJIANG YONGTAI TECHNOLOGY CO., LTD. (CN) | 2019-09-10 | — | — | US | disclosed |
| US-10035773-B2 | Method for producing 3,5-bis(fluoroalkyl)-pyrazol-4-carboxylic acid derivatives and 3,5-bis(fluoroalkyl)-pyrazoles | BAYER CROPSCIENCE AG (DE) | 2018-07-31 | — | — | US | disclosed |
| US-20180194753-A1 | METHOD FOR PREPARING PYRAZOLECARBOXYLIC ACID DERIVATIVE, AND INTERMEDIATE THEREOF | ZHEJIANG YONGTAI TECHNOLOGY CO., LTD (CN) | 2018-07-12 | — | — | US | disclosed |
| EP-3312161-A1 | METHOD FOR PREPARING PYRAZOLECARBOXYLIC ACID DERIVATIVE, AND INTERMEDIATE THEREOF | Zhejiang Yongtai Technology Co., Ltd. (CN) | 2018-04-25 | — | — | EP | 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-2057126-B1 | PROCESS FOR PREPARING 3-DIHALOMETHYLPYRAZOLE-4-CARBOXYLIC ACID DERIVATIVES | BAYER CROPSCIENCE AG (DE) | 2010-11-10 | — | — | EP | disclosed |
| US-20100121095-A1 | METHOD FOR PRODUCING DIHALO ACETOACETIC ALKYL ESTERS | BAYER CROPSCIENCE AG (DE) | 2010-05-13 | — | — | US | disclosed |
| US-20090326242-A1 | PROCESS FOR PREPARING 3-DIHALOMETHYL-PYRAZOLE-4-CARBOXYLIC ACID DERIVATIVES | BAYER CROPSCIENCE AG (DE) | 2009-12-31 | — | — | US | disclosed |
| EP-2114855-A2 | METHOD FOR PRODUCING DIHALO ACETOACETIC ALKYL ESTERS | Bayer CropScience Aktiengesellschaft (DE) | 2009-11-11 | — | — | EP | disclosed |
| WO-2008092583-A2 | METHOD FOR PRODUCING DIHALO ACETOACETIC ALKYL ESTERS | BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) | 2008-08-07 | — | — | WO | disclosed |
| CN-1175574-A | Cycloalkanepyridines | BAYER AG (DE) | 1998-03-11 | — | — | CN | disclosed |