SCHEMBL12069

SCHEMBL12069

O=C=Nc1ccccc1OC(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.42
ALDH1A1 P00352 3/20 0.40
HPGD P15428 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
GAA P10253 1/20 0.36
RXRA P19793 1/20 0.36
RXRB P28702 1/20 0.36
RXRG P48443 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
FFAR1 O14842 1/20 0.34
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33
POLB P06746 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
SLC22A12 Q96S37 1/20 0.33
KCNK3 O14649 1/20 0.33
KCNK9 Q9NPC2 1/20 0.33

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
SCHEMBL30438445 1.00 CYP3A4 (0.42) CYP3A4ALDH1A1HPGDTDP1GAA
SCHEMBL1967227 0.81 ALDH1A1 (0.43) CYP3A4ALDH1A1HPGDTDP1GAA
SCHEMBL10585108 0.80 ALDH1A1 (0.38) CYP3A4ALDH1A1HPGDTDP1KDM4E
SCHEMBL8594458 0.80 DDB1 (0.33) ALDH1A1SLC6A2SLC6A4CNR1CNR2
SCHEMBL14256865 0.79 ALDH1A1 (0.40) ALDH1A1GAARXRARXRBRXRG
SCHEMBL29369823 0.78 CYP3A4 (0.50) CYP3A4ALDH1A1HPGDTDP1
SCHEMBL3192927 0.78 ALDH1A1 (0.38) ALDH1A1GAARXRARXRBRXRG
SCHEMBL1356140 0.78 CYP3A4 (0.50) CYP3A4ALDH1A1HPGDTDP1
SCHEMBL10677796 0.76 CYP3A4 (0.38) CYP3A4ALDH1A1HPGDTDP1RXRA
SCHEMBL3958928 0.75 CYP3A4 (0.47) CYP3A4ALDH1A1HPGDTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119431706-A Fatigue-resistant polyurethane elastomer and preparation method and application thereof 万勋科技(深圳)有限公司 2025-02-14 CN claimed
US-10734683-B2 Additive containing electrolytes for high energy rechargeable metal anode batteries Viking Power Systems Pte. Ltd. (SG) 2020-08-04 US claimed
EP-3497738-A1 ADDITIVE CONTAINING ELECTROLYTES FOR HIGH ENERGY RECHARGEABLE METAL ANODE BATTERIES Pellion Technologies Inc. (US) 2019-06-19 EP claimed
US-20180048025-A1 ADDITIVE CONTAINING ELECTROLYTES FOR HIGH ENERGY RECHARGEABLE METAL ANODE BATTERIES PELLION TECHNOLOGIES, INC. (US) 2018-02-15 US claimed
US-20180048017-A1 ADDITIVE CONTAINING ELECTROLYTES FOR HIGH ENERGY RECHARGEABLE METAL ANODE BATTERIES PELLION TECHNOLOGIES, INC. (US) 2018-02-15 US claimed
CN-103724293-B A kind of preparation method of the urea derivative containing 1,2,3-thiadiazoles 浙江工业大学 2016-08-17 CN claimed
CN-102477220-B Magnetic nylon microspheres with controllable particle size and preparation method thereof HEFEI GENIUS NEW MAT CO LTD 2014-06-25 CN claimed
EP-1754705-A2 Antagonists for treatment of CD11/CD18 adhesion receptor mediated disorders Genentech, Inc. (US) 2007-02-21 EP claimed
EP-1377589-B1 OXAZOLYL-PYRAZOLE DERIVATIVES AS KINASE INHIBITORS PHARMACIA ITALIA SPA (IT) 2005-09-07 EP claimed
EP-4713378-A1 ESTERIFIED ETHANOLAMINES FOR PREPARING ISOCYANURATE POLYMERS Covestro Deutschland AG (DE) 2026-03-25 EP disclosed
CN-119431706-A Fatigue-resistant polyurethane elastomer and preparation method and application thereof 万勋科技(深圳)有限公司 2025-02-14 CN disclosed
EP-3774961-B1 ADDUCTS OF AMINE CATALYSTS FOR PRODUCING ISOCYANURATE POLYMERS COVESTRO DEUTSCHLAND AG (DE) 2025-01-15 EP disclosed
WO-2024236000-A1 ESTERIFIED ETHANOLAMINES FOR PREPARING ISOCYANURATE POLYMERS COVESTRO DEUTSCHLAND AG (DE) 2024-11-21 WO disclosed
EP-4464727-A1 ESTERIFIED ETHANOLAMINES FOR THE PREPARATION OF ISOCYANURATE POLYMERS Covestro Deutschland AG (DE) 2024-11-20 EP disclosed
US-5530135-A REACTING ISOCYANATE COMPOUND WITH SODIUM AZIDE IN PRESENCE OF ALUMINUM CHLORIDE, FOLLOWED BY ADDITION OF WATER AND MINERAL ACID NIHON BAYER AGROCHEM K.K. (JP) 1996-06-25 US disclosed
EP-0638561-A1 Process for the production of 1-substituted-5(4H)-tetrazolinones NIHON BAYER AGROCHEM K.K. (JP) 1995-02-15 EP disclosed
US-4996208-A Pesticidal thiazolopyrimidine derivatives BAYER AKTIENGESELLSCHAFT (DE) 1991-02-26 US disclosed
EP-0078991-B1 PROCESS FOR THE PREPARATION OF MIXED TRIMERS OF ORGANIC ISOCYANATES, MIXED TRIMERS OBTAINED BY THIS PROCESS AND THEIR USE IN THE PREPARATION OF POLYURETHANES BAYER AG (DE) 1985-12-27 EP disclosed
US-4518761-A Process for the preparation of mixed trimers from organic isocyanates, the mixed trimers obtained according to the process and the use thereof for the production of polyurethanes BAYER AKTIENGESELLSCHAFT (DE) 1985-05-21 US disclosed
EP-0078991-A2 Process for the preparation of mixed trimers of organic isocyanates, mixed trimers obtained by this process and their use in the preparation of polyurethanes BAYER AG (DE) 1983-05-18 EP disclosed