SCHEMBL82438

SCHEMBL82438

FC(F)(F)c1[c]cccc1C(F)(F)F

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.34
ALDH1A1 P00352 1/20 0.34
POLB P06746 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
HTR2C P28335 3/20 0.33
CES1 P23141 1/20 0.33
IDO1 P14902 2/20 0.32
CA2 P00918 1/20 0.32
GAA P10253 3/20 0.31
LMNA P02545 1/20 0.31
HTR2B P41595 1/20 0.31
AXL P30530 1/20 0.31
HSD11B1 P28845 1/20 0.31
NFKB1 P19838 1/20 0.31
KIF11 P52732 1/20 0.31
NOTUM Q6P988 1/20 0.30
GRIN2D O15399 1/20 0.30
GRIN3B O60391 1/20 0.30
GRIN1 Q05586 1/20 0.30
GRIN2A Q12879 1/20 0.30

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
SCHEMBL4493452 0.85 CA2 (0.37) TDP1ALDH1A1CA2
SCHEMBL6987649 0.81 HSD11B1 (0.41) TDP1ALDH1A1HSD11B1NOTUM
SCHEMBL8197277 0.77 NR1H2 (0.33)
SCHEMBL81364 0.76
SCHEMBL81363 0.76 ALDH1A1 (0.39) TDP1ALDH1A1POLBL3MBTL1HTR2C
SCHEMBL5314612 0.76 CYP3A4 (0.41) TDP1ALDH1A1POLBL3MBTL1GAA
SCHEMBL3338590 0.74 CA2 (0.35) TDP1ALDH1A1POLBL3MBTL1IDO1
SCHEMBL6591152 0.74
SCHEMBL6591151 0.74 NFKB1 (0.33) TDP1ALDH1A1POLBL3MBTL1IDO1
SCHEMBL225527 0.74 TSHR (0.33) LMNA

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

Appears in 3006 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024140294-A1 ORGANIC COMPOUND AND APPLICATION THEREOF IN OLED DEVICE 北京云基科技股份有限公司 2024-07-04 WO claimed
US-20240116855-A1 COMPOUNDS HAVING A FUNGICIDAL ACTIVITY, THEIR AGRONOMIC COMPOSITIONS AND USE THEREOF FOR THE CONTROL OF PHYTOPATHOGENIC FUNGI ISAGRO S.P.A. (IT) 2024-04-11 US claimed
US-11950507-B2 Organic electroluminescence device Beijing Summer Sprout Technology Co., Ltd. (CN) 2024-04-02 US claimed
CN-114335364-B Composition for organic electroluminescent device and organic electroluminescent device 江苏三月科技股份有限公司 2024-03-22 CN claimed
CN-114335361-B Composition and organic electroluminescent device comprising same 江苏三月科技股份有限公司 2024-03-22 CN claimed
CN-117693217-A Series organic electroluminescent device 北京夏禾科技有限公司 2024-03-12 CN claimed
CN-117603124-A Double-main-body organic electroluminescent material and organic electroluminescent device 吉林奥来德光电材料股份有限公司 2024-02-27 CN claimed
US-11908697-B2 Interconnect structure having a carbon-containing barrier layer TAIWAN SEMICONDUCTOR MANUFACTURING COMPANY (TW) 2024-02-20 US claimed
CN-114335362-B OLED (organic light emitting diode) composition and organic electroluminescent device 江苏三月科技股份有限公司 2024-02-13 CN claimed
US-11897896-B2 Organic electroluminescent materials and devices Beijing Summer Sprout Technology Co., Ltd. 2024-02-13 US claimed
EP-0183174-A2 Substituted phenoxy urea, processes for its preparation and herbicide containing it as active ingredient KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 1986-06-04 EP claimed
US-4564635-A Allylsulfoxide enzyme inhibitors MERCK & CO., INC. (US) 1986-01-14 US claimed
EP-0024639-B1 ORGANIC SULFOXIDES HAVING A LATENT ALLYL GROUP, PROCESS FOR PREPARING THE SAME AND PHARMACEUTICAL ENZYME INHIBITING COMPOSITION COMPRISING THE SAME MERCK & CO. INC. (US) 1984-06-06 EP claimed
US-4400395-A ANTI-ARTHRITIC,-CARCINOGENIC,-SEROTONIN,-HISTAMINE AGENTS; HYPOTENSIVES MERCK & CO., INC. (US) 1983-08-23 US claimed
US-4332813-A Allylsulfoxide enzyme inhibitors MERCK & CO., INC. (US) 1982-06-01 US claimed
EP-0024639-A1 Organic sulfoxides having a latent allyl group, process for preparing the same and pharmaceutical enzyme inhibiting composition comprising the same MERCK & CO. INC. (US) 1981-03-11 EP claimed
US-4192873-A Anti-inflammatory 2-sulphonyl- (or -sulphinyl)-2'-aminoacetophenones CIBA-GEIGY CORPORATION (US) 1980-03-11 US claimed
US-4046909-A Pyrrolidylidene, piperidylidene and hexahydroazepinylidene ureas as CNS depressants MCNEIL LABORATORIES, INCORPORATED (US) 1977-09-06 US claimed
US-4017623-A Esters of 2-[(4-quinolyl)amino]-benzoic acids in analgesic and anti-inflammatory compositions SYNTHELABO (FR) 1977-04-12 US claimed
US-3935229-A ANALGESIC, ANTIINFLAMMATORY SYNTHELABO (FR) 1976-01-27 US claimed