SCHEMBL22115443

SCHEMBL22115443

O=C(CC(F)(F)F)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 1/20 0.61
CES1 P23141 2/20 0.55
CA1 P00915 2/20 0.53
CA2 P00918 2/20 0.53
TDP1 Q9NUW8 1/20 0.53
TSHR P16473 1/20 0.52
ALDH1A1 P00352 1/20 0.52
MAPK1 P28482 1/20 0.52
HSD11B1 P28845 1/20 0.49
CES2 O00748 1/20 0.49
SRD5A2 P31213 1/20 0.49
MMP8 P22894 1/20 0.48
PKM P14618 1/20 0.48
LMNA P02545 1/20 0.47
GAA P10253 1/20 0.47

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

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.

Compoundsimilaritytop predictedshared targets
SCHEMBL27961042 0.83 GSK3B (0.67) GSK3BCES1CA1CA2TDP1
SCHEMBL396689 0.82 PTPN1 (0.48) GSK3BCES1TDP1ALDH1A1MAPK1
SCHEMBL14041426 0.82 GSK3B (0.61) GSK3BCES1CA1CA2TDP1
SCHEMBL5756510 0.80 CES2 (0.60) CES1TSHRALDH1A1MAPK1CES2
SCHEMBL28703169 0.79 GSK3B (0.57) GSK3BCES1CA1CA2TDP1
SCHEMBL6179198 0.79 PLOD2 (0.62) GSK3BCES1CA1CA2TDP1
SCHEMBL240086 0.79 GSK3B (0.71) GSK3BCES1CA1CA2TDP1
SCHEMBL11510574 0.79 GSK3B (0.71) GSK3BCES1CA1CA2TDP1
SCHEMBL220960 0.77 GSK3B (0.69) GSK3BCES1CA1CA2TDP1
SCHEMBL11713734 0.77 GSK3B (0.69) GSK3BCES1CA1CA2TDP1

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 36 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114456048-B Preparation method of penconazole intermediate 帕潘纳(北京)科技有限公司 2024-02-02 CN claimed
CN-114478259-B Method for preparing 4-nitro-2-trifluoromethyl acetophenone 帕潘纳(北京)科技有限公司 2023-07-25 CN claimed
CN-114539065-B Method for preparing 4-nitro-2-trifluoromethyl acetophenone 帕潘纳(北京)科技有限公司 2023-07-25 CN claimed
CN-114539065-A Method for preparing 4-nitro-2-trifluoromethylacetophenone 帕潘纳(北京)科技有限公司 2022-05-27 CN claimed
CN-114478259-A Method for preparing 4-nitro-2-trifluoromethylacetophenone 帕潘纳(北京)科技有限公司 2022-05-13 CN claimed
CN-114456048-A Preparation method of chlorofluoromethane intermediate 帕潘纳(北京)科技有限公司 2022-05-10 CN claimed
CN-114456048-B Preparation method of penconazole intermediate 帕潘纳(北京)科技有限公司 2024-02-02 CN disclosed
CN-114456048-B Preparation method of penconazole intermediate 帕潘纳(北京)科技有限公司 2024-02-02 CN disclosed
CN-117069588-A Preparation method and application of 4-nitro-2-trifluoromethyl acetophenone 合力科技股份有限公司 2023-11-17 CN disclosed
CN-117069588-A Preparation method and application of 4-nitro-2-trifluoromethyl acetophenone 合力科技股份有限公司 2023-11-17 CN disclosed
CN-117069588-A Preparation method and application of 4-nitro-2-trifluoromethyl acetophenone 合力科技股份有限公司 2023-11-17 CN disclosed
WO-2023216064-A1 METHOD FOR PREPARING 4-NITRO-2-TRIFLUOROMETHYL ACETOPHENONE AND USE THEREOF 合力科技股份有限公司 2023-11-16 WO disclosed
WO-2023216064-A1 METHOD FOR PREPARING 4-NITRO-2-TRIFLUOROMETHYL ACETOPHENONE AND USE THEREOF 合力科技股份有限公司 2023-11-16 WO disclosed
CN-114456048-A Preparation method of chlorofluoromethane intermediate 帕潘纳(北京)科技有限公司 2022-05-10 CN disclosed
CN-114456048-A Preparation method of chlorofluoromethane intermediate 帕潘纳(北京)科技有限公司 2022-05-10 CN disclosed
WO-2021160468-A1 PROCESS FOR THE PREPARATION OF 1-[4-NITRO-2-(TRIFLUOROMETHYL)PHENYL]-ALKANONES BASF Agro B.V. (NL) 2021-08-19 WO disclosed
EP-3670491-A1 PROCESS FOR THE PREPARATION OF 4-NITRO-2-TRIFLUOROMETHYL-ACETOPHENONE BASF Agro B.V. (NL) 2020-06-24 EP disclosed
EP-3670491-A1 PROCESS FOR THE PREPARATION OF 4-NITRO-2-TRIFLUOROMETHYL-ACETOPHENONE BASF Agro B.V. (NL) 2020-06-24 EP disclosed
EP-3670487-A1 PROCESS FOR THE PREPARATION OF SUBSTITUTED PHENOXYPHENYL KETONES BASF Agro B.V. (NL) 2020-06-24 EP disclosed
EP-3670492-A1 PROCESS FOR THE PREPARATION OF 4-NITRO-2-(TRIFLUOROMETHYL)-1-(1-NITROETHYL)-BENZENE BASF Agro B.V. (NL) 2020-06-24 EP disclosed