SCHEMBL213627

SCHEMBL213627

O=[N+]([O-])c1ccc(O)cc1C(F)(F)F

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT6 Q8N6T7 1/20 0.54
AR P10275 6/20 0.52
LMNA P02545 4/20 0.52
CYP3A4 P08684 3/20 0.52
SMN1; SMN2 Q16637 3/20 0.52
CYP1A2 P05177 2/20 0.52
CYP2C9 P11712 2/20 0.52
TSHR P16473 2/20 0.52
CYP2C19 P33261 2/20 0.52
PGR P06401 2/20 0.52
HTT P42858 2/20 0.52
CES2 O00748 1/20 0.52
ABCB11 O95342 1/20 0.52
ALDH1A1 P00352 1/20 0.52
GLA P06280 1/20 0.52
ADORA3 P0DMS8 1/20 0.52
CHRM1 P11229 1/20 0.52
ALOX15 P16050 1/20 0.52
TBXA2R P21731 1/20 0.52
AADAC P22760 1/20 0.52

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
SCHEMBL29351198 1.00 SIRT6 (0.54) SIRT6ARLMNACYP3A4SMN1; SMN2
SCHEMBL10939876 0.86 KIF11 (0.51) SIRT6ARLMNACYP3A4SMN1; SMN2
SCHEMBL30619356 0.85 KIF11 (0.48) SIRT6ARLMNACYP3A4SMN1; SMN2
SCHEMBL7327413 0.85 KIF11 (0.48) SIRT6ARLMNACYP3A4SMN1; SMN2
SCHEMBL15707966 0.82 AR (0.58) ARLMNACYP3A4SMN1; SMN2CYP1A2
Methyl Alcohol SCHEMBL7150776 0.82 KIF11 (0.46) SIRT6ARLMNACYP3A4SMN1; SMN2
SCHEMBL5174342 0.81 SIRT6 (0.54) SIRT6ARLMNACYP3A4SMN1; SMN2
SCHEMBL2639009 0.79 SIRT6 (0.51) SIRT6ARLMNACYP3A4SMN1; SMN2
SCHEMBL1998640 0.79 CYP3A4 (0.52) SIRT6ARLMNACYP3A4SMN1; SMN2
SCHEMBL377777 0.79 ATM (0.60) SIRT6ARLMNACYP3A4SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12187911-B2 Method for preparing water-soluble acrylic-modified phenolic-modified epoxy resin, water-soluble acrylic-modified phenolic-modified epoxy resin prepared thereby, and aqueous coating composition comprising same SAMHWA PAINTS INDUSTRIES CO., LTD. (KR) 2025-01-07 US claimed
CN-116440804-B 3-Trifluoromethyl-4-nitrophenol hydrolysis system 江苏永创医药科技股份有限公司 2024-07-05 CN claimed
CN-116967023-B 3-Trifluoromethyl-4-nitrophenol recrystallization centrifugal device and process 江苏永创医药科技股份有限公司 2024-07-05 CN claimed
US-20240117213-A1 METHOD FOR PREPARING WATER-SOLUBLE ACRYLIC-MODIFIED PHENOLIC-MODIFIED EPOXY RESIN, WATER-SOLUBLE ACRYLIC-MODIFIED PHENOLIC-MODIFIED EPOXY RESIN PREPARED THEREBY, AND AQUEOUS COATING COMPOSITION COMPRISING SAME SAMHWA PAINTS INDUSTRIES CO., LTD. (KR) 2024-04-11 US claimed
US-20240081328-A1 Use of 4-Nitro-3-(Trifluoromethyl)Phenol in Killing or Controlling Pomacea Canaliculata, Method for Killing or Controlling Pomacea Canaliculata, and Molluscicide JIANGSU INSTITUTE OF PARASITIC DISEASES (CN) 2024-03-14 US claimed
CN-113620809-B Recycling treatment method of industrial wastewater generated in production of 5-chloro-2-nitrobenzotrifluoride 南京信息工程大学 2023-11-14 CN claimed
CN-116967023-A 3-trifluoromethyl-4-nitrophenol recrystallization centrifugal device and process 江苏永创医药科技股份有限公司 2023-10-31 CN claimed
CN-116440804-A 3-trifluoromethyl-4-nitrophenol hydrolysis system 江苏永创医药科技股份有限公司 2023-07-18 CN claimed
WO-2023088336-A1 USE OF 3-TRIFLUOROMETHYL-4-NITROPHENOL IN KILLING OR PREVENTING AND CONTROLLING OF POMACEA CANALICULATA SPIX, AND METHOD AND AGENT FOR KILLING OR PREVENTING AND CONTROLLING SAME 江苏省血吸虫病防治研究所 2023-05-25 WO claimed
CN-113951255-B Application of 3-trifluoromethyl-4-nitrophenol in killing or preventing ampullaria gigas, killing or preventing method and medicament 江苏省血吸虫病防治研究所 2022-12-09 CN claimed
WO-2021075800-A1 METHOD FOR PREPARING WATER-SOLUBLE ACRYLIC-MODIFIED PHENOLIC-MODIFIED EPOXY RESIN, WATER-SOLUBLE ACRYLIC-MODIFIED PHENOLIC-MODIFIED EPOXY RESIN PREPARED THEREBY, AND AQUEOUS COATING COMPOSITION COMPRISING SAME 삼화페인트공업주식회사 2021-04-22 WO claimed
US-10338051-B2 Systems and methods related to optical nanosensors comprising photoluminescent nanostructures MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2019-07-02 US claimed
US-20180011072-A1 Systems and Methods Related to Optical Nanosensors Comprising Photoluminescent Nanostructures MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2018-01-11 US claimed
US-20160178597-A1 Systems and Methods Related to Optical Nanosensors Comprising Photoluminescent Nanostructures MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2016-06-23 US claimed
US-8460608-B2 Systems and methods related to optical nanosensors comprising photoluminescent nanostructures MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2013-06-11 US claimed
US-20110269243-A1 SYSTEMS AND METHODS RELATED TO OPTICAL NANOSENSORS COMPRISING PHOTOLUMINESCENT NANOSTRUCTURES MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2011-11-03 US claimed
WO-2011072228-A1 SPECTRAL IMAGING OF PHOTOLUMINESCENT MATERIALS MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2011-06-16 WO claimed
US-5744273-A Laminatable backing substrates containing fluoro compounds for improved toner flow XEROX CORPORATION (US) 1998-04-28 US claimed
US-5185471-A Reacting 5-halo-2-nitrobenzotrifluorides with inorganic base to form 1,1*-oxy-Bis(3-trifluoromethyl-4-nitrobenzen using benzoate catalyst OCCIDENTAL CHEMICAL CORPORATION (US) 1993-02-09 US claimed
US-4720595-A Novel agents containing the compound 3-trifluoromethyl-4-nitrophenol HOECHST AKTIENGESELLSCHAFT (DE) 1988-01-19 US claimed