SCHEMBL2201165

SCHEMBL2201165

O=C(CCC(F)(F)F)c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.57
MAPT P10636 3/20 0.57
LMNA P02545 3/20 0.57
L3MBTL1 Q9Y468 2/20 0.57
NR4A2 P43354 1/20 0.57
MAPK1 P28482 3/20 0.52
KMT2A Q03164 2/20 0.52
CES1 P23141 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
KDM4E B2RXH2 1/20 0.52
MEN1 O00255 1/20 0.52
CYP3A4 P08684 1/20 0.52
HPGD P15428 1/20 0.52
ALOX15 P16050 1/20 0.52
HDAC1 Q13547 5/20 0.52
HDAC8 Q9BY41 5/20 0.52
ALDH1A1 P00352 3/20 0.52
GAA P10253 1/20 0.52
CYP2C19 P33261 1/20 0.52
HDAC3 O15379 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
Hydrochloric Acid SCHEMBL5819906 0.98 TDP1 (0.55) TDP1MAPTLMNAL3MBTL1NR4A2
SCHEMBL28422514 0.89 SMN1; SMN2 (0.62) TDP1MAPTLMNAL3MBTL1MAPK1
SCHEMBL15687545 0.88 TDP1 (0.64) TDP1MAPTLMNAL3MBTL1NR4A2
SCHEMBL3856592 0.86 TDP1 (0.68) TDP1MAPTLMNAL3MBTL1NR4A2
SCHEMBL20134991 0.86 TP53 (0.48) TDP1MAPTLMNAL3MBTL1NR4A2
Ethyl Acetate SCHEMBL28924138 0.84 POLB (0.51) TDP1MAPTLMNAL3MBTL1NR4A2
SCHEMBL20474745 0.82 NPC1 (0.61) TDP1L3MBTL1KDM4EALDH1A1GAA
SCHEMBL2074096 0.82 NPC1 (0.64) LMNAL3MBTL1KMT2ACES1SMN1; SMN2
SCHEMBL28000330 0.81 MAPT (0.50) TDP1MAPTLMNAL3MBTL1NR4A2
SCHEMBL27598014 0.81 TDP1 (0.59) TDP1MAPTLMNAL3MBTL1NR4A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119433997-A Ultraviolet-resistant waterproof fabric for leisure cap 宿州先进服饰有限公司 2025-02-14 CN claimed
CN-119242206-A Electrolyte-resistant and high-temperature-resistant lithium battery termination adhesive tape 南京占一科技有限公司 2025-01-03 CN claimed
CN-104311397-A Novel fluorine-containing bisphenol compound and preparation method thereof WUHAN INST OF SHIPBUILDING TECHNOLOGY CO LTD 2015-01-28 CN claimed
CN-101318907-B Method for preparing benzoic-2-[[1-methyl-2-[3-(trifluoromethyl)-phenyl] ethyl] amido] ethyl ester hydrochlorate SHANDONG XINHUA PHARMACEUTICAL 2011-05-25 CN claimed
CN-101318907-A Method for preparing benzoic-2-[[1-methyl-2-[3-(trifluoromethyl)-phenyl] ethyl] amido] ethyl ester hydrochlorate SHANDONG XINHUA PHARMACEUTICAL (CN) 2008-12-10 CN claimed
CN-119433997-A Ultraviolet-resistant waterproof fabric for leisure cap 宿州先进服饰有限公司 2025-02-14 CN disclosed
CN-119242206-A Electrolyte-resistant and high-temperature-resistant lithium battery termination adhesive tape 南京占一科技有限公司 2025-01-03 CN disclosed
CN-118450782-A Perovskite film and preparation method thereof, HJT-perovskite laminated cell 宣城先进光伏技术有限公司 2024-08-06 CN disclosed
US-20230398526-A1 NITROGEN HETEROCYCLIC CARBENE CATALYST AND PREPARATION METHOD THEREFOR PINGSHAN TRANSLATIONAL MEDICINE CENTER, SHENZHEN BAY LABORATOR (CN) 2023-12-14 US disclosed
CN-114853715-B Organic nitrite donor ketal type prodrug, preparation method and medical application thereof 中国药科大学 2023-06-30 CN disclosed
CN-115521202-A Preparation method of alpha-acyloxy ketone containing trifluoromethyl 温州理工学院 2022-12-27 CN disclosed
CN-114853715-A Organic nitrite donor ketal type prodrug, preparation method and medical application thereof 中国药科大学 2022-08-05 CN disclosed
US-6380436-B1 REACTING 4-TRIFLUOROMETHYLBENZONITRILE WITH GRIGNARD REAGENT SUN PHARMACEUTICAL INDUSTRIES LTD. (IN) 2002-04-30 US disclosed
US-6211413-B1 DIAZOTIZING SUBSTITUTED ANILINE WITH ORGANIC NITRITE, NITROUS ACID OR INORGANIC NITRITE IN PRESENCE OF SULFURIC ACID OR NITROSULFURIC ACID, REACTING SALT WITH ALDOXIME IN PRESENCE OF COPPER SULFATE AND HYDROPHOBIC SOLVENT, HYDROLYZING BAYER AKTIENGESELLSCHAFT (DE) 2001-04-03 US disclosed
CN-1049884-C Synthesis process of methylbenzyl acetone trihalide PUDONG PHARMACEUTICAL FACTORY (CN) 2000-03-01 CN disclosed
WO-1999058485-A1 A PROCESS FOR THE SYNTHESIS OF ALKOXYALKYL (TRIFLUOROMETHYLPHENYL) METHANONES SUN PHARMACEUTICALS INDUSTRIES LTD. (IN) 1999-11-18 WO disclosed
CN-1186485-A Pyrrole derivatives and pharmaceutical compositions NIPPON SHINYAKU CO LTD (JP) 1998-07-01 CN disclosed
CN-1174187-A Synthesis process of methylbenzyl acetone trihalide PUDONG PHARMACEUTICAL FACTORY (CN) 1998-02-25 CN disclosed
US-4596816-A Pharmaceuticals TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1986-06-24 US disclosed
EP-0092239-A2 Oxazole derivatives, production and use thereof Takeda Chemical Industries, Ltd. (JP) 1983-10-26 EP disclosed