SCHEMBL18304583

SCHEMBL18304583

O=C(CCc1ccccc1)OC(F)(F)F

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.61
KEAP1 Q14145 1/20 0.53
ALDH1A1 P00352 1/20 0.50
FFAR1 O14842 1/20 0.50
CES1 P23141 5/20 0.49
FAAH O00519 3/20 0.49
KMT2A Q03164 1/20 0.47
HDAC2 Q92769 2/20 0.47
HDAC8 Q9BY41 2/20 0.47
HDAC6 Q9UBN7 2/20 0.47
POLB P06746 1/20 0.46
GAA P10253 1/20 0.46
HDAC1 Q13547 2/20 0.46
HDAC3 O15379 1/20 0.46
MAPK1 P28482 1/20 0.46
ADRA1A P35348 1/20 0.46
HDAC4 P56524 1/20 0.46
SLC6A3 Q01959 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
HDAC7 Q8WUI4 1/20 0.46

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
Trifluoroacetic Acid SCHEMBL27504504 0.95 TDP1 (0.56) TDP1KEAP1ALDH1A1FFAR1CES1
SCHEMBL28003976 0.89 HDAC1 (0.56) TDP1CES1FAAHKMT2AHDAC2
SCHEMBL1380801 0.81 TDP1 (0.61) TDP1KEAP1ALDH1A1FFAR1KMT2A
SCHEMBL1220707 0.81 TDP1 (0.61) TDP1KEAP1ALDH1A1FFAR1KMT2A
SCHEMBL1279129 0.81 CES1 (0.57) ALDH1A1CES1KMT2AHDAC8HDAC6
SCHEMBL6869343 0.80 TDP1 (0.59) TDP1KEAP1ALDH1A1FFAR1KMT2A
SCHEMBL27282391 0.79 TDP1 (0.58) TDP1KEAP1ALDH1A1FFAR1KMT2A
SCHEMBL27369755 0.79 TDP1 (0.58) TDP1KEAP1ALDH1A1FFAR1CES1
SCHEMBL7280263 0.79 TDP1 (0.68) TDP1KEAP1ALDH1A1FFAR1KMT2A
SCHEMBL29086538 0.78 TDP1 (0.73) TDP1KEAP1ALDH1A1FFAR1KMT2A

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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119486565-A Perovskite precursor solution, perovskite solar cell, preparation method and photovoltaic module 天合光能股份有限公司 2025-02-18 CN claimed
CN-1085980-C Meta-guanidino, ureido, thioureido or azacyclic aminobenzoic acid derivatives as integrin antagonists SEARLE & CO (US) 2002-06-05 CN claimed
CN-1201454-A Meta-guanidino, ureido, thioureido or azacyclic aminobenzoic acid derivatives as integrin antagonists SEARLE & CO (US) 1998-12-09 CN claimed
CN-119486565-A Perovskite precursor solution, perovskite solar cell, preparation method and photovoltaic module 天合光能股份有限公司 2025-02-18 CN disclosed
CN-114423734-A Metadiamide insecticides FMC公司 2022-04-29 CN disclosed
CN-103864754-B Five-membered azole heterocycle compound and preparation method thereof, pharmaceutical composition and purposes 中国科学院上海药物研究所 2016-12-21 CN disclosed
WO-2016201203-A1 PROCESSES FOR MAKING PONATINIB AND INTERMEDIATES THEREOF APICORE US LLC (US) 2016-12-15 WO disclosed
CN-104789026-B Modified drift-sand and the waterborne fluoro emulsion containing this modification drift-sand 郝情情 2016-08-24 CN disclosed
CN-104830174-A Modified wind-blown sand and water-borne acrylic coating containing same HAO QINGQING 2015-08-12 CN disclosed
CN-104817870-A Modified wind-blown sand and waterborne organic silicon coating comprising same HAO QINGQING 2015-08-05 CN disclosed
CN-104817872-A Modified wind-blown sand and waterborne epoxy coating comprising same HAO QINGQING 2015-08-05 CN disclosed
CN-104817871-A Modified wind-blown sand and waterborne UV (ultraviolet) coating comprising same HAO QINGQING 2015-08-05 CN disclosed
CN-104789026-A Modified aeolian sand and water-based fluorine-containing paint comprising same HAO QINGQING 2015-07-22 CN disclosed
CN-104112870-A Nonaqueous electrolyte solution and nonaqueous electrolyte battery using same MITSUBISHI CHEM CORP 2014-10-22 CN disclosed
CN-103864754-A Five-membered azole heterocycle compound, preparation method, drug composition and use thereof SHANGHAI INST MATERIA MEDICA 2014-06-18 CN disclosed
CN-102964294-A Pyridyl inhibitors of hedgehog signalling GENENTECH INC 2013-03-13 CN disclosed
CN-102484281-A Nonaqueous electrolyte solution and nonaqueous electrolyte battery using same MITSUBISHI CHEM CORP 2012-05-30 CN disclosed
CN-102083822-A Pyridyl inhibitors of HEDGEHOG signalling GENENTECH INC 2011-06-01 CN disclosed
CN-101072755-A Pyridyl inhibitors of Hedgehog signaling GENENTECH INC (US) 2007-11-14 CN disclosed