SCHEMBL3753968

SCHEMBL3753968

CCCCc1ccc(C#N)cc1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 3/20 0.76
TSHR P16473 1/20 0.76
CYP2A6 P11509 2/20 0.61
LOXL2 Q9Y4K0 2/20 0.52
KCNJ1 P48048 1/20 0.50
KCNH2 Q12809 1/20 0.50
CA2 P00918 2/20 0.48
CA1 P00915 1/20 0.48
CYP19A1 P11511 4/20 0.48
ALDH1A1 P00352 4/20 0.47
HPGD P15428 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
ESR1 P03372 2/20 0.45
ADRA2A P08913 2/20 0.45
ADORA3 P0DMS8 2/20 0.45
TACR2 P21452 2/20 0.45
SLC6A2 P23975 2/20 0.45
SLC6A4 P31645 2/20 0.45
SLC6A3 Q01959 2/20 0.45
NPC1 O15118 1/20 0.45

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
SCHEMBL10568033 0.98 HSD17B10 (0.79) HSD17B10TSHRCYP2A6LOXL2KCNJ1
SCHEMBL10569452 0.96 HSD17B10 (0.83) HSD17B10TSHRCYP2A6LOXL2KCNJ1
SCHEMBL10456991 0.94 TSHR (0.86) HSD17B10TSHRCYP2A6LOXL2KCNJ1
SCHEMBL2034343 0.94 TSHR (0.86) HSD17B10TSHRCYP2A6LOXL2KCNJ1
SCHEMBL2997975 0.94 HSD17B10 (0.86) HSD17B10TSHRCYP2A6LOXL2KCNJ1
SCHEMBL10567414 0.94 HSD17B10 (0.86) HSD17B10TSHRCYP2A6LOXL2KCNJ1
SCHEMBL2984821 0.92 HSD17B10 (0.89) HSD17B10TSHRCYP2A6LOXL2CYP19A1
SCHEMBL9026707 0.92 HSD17B10 (0.89) HSD17B10TSHRCYP2A6LOXL2CYP19A1
SCHEMBL22265340 0.92 HSD17B10 (0.89) HSD17B10TSHRCYP2A6LOXL2CYP19A1
SCHEMBL15186454 0.92 HSD17B10 (0.89) HSD17B10TSHRCYP2A6LOXL2CYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118345390-A Method for preparing carbonyl compound by electrocatalytic oxidation of benzyl C-H bond by pyridine nitrogen oxide 浙江大学 2024-07-16 CN claimed
CN-110612614-B Ink composition for forming organic layer of semiconductor 诺瓦尔德股份有限公司 2023-10-31 CN claimed
US-11787965-B2 Ink composition for forming an organic layer of a semiconductor NOVALED GMBH (DE) 2023-10-17 US claimed
EP-3382770-B1 INK COMPOSITION FOR FORMING AN ORGANIC LAYER OF A SEMICONDUCTOR NOVALED GMBH (DE) 2023-09-20 EP claimed
US-20200032093-A1 Ink Composition for Forming an Organic Layer of a Semiconductor NOVALED GMBH (DE) 2020-01-30 US claimed
CN-110612614-A Ink composition for forming organic layer of semiconductor 诺瓦尔德股份有限公司 2019-12-24 CN claimed
EP-3382770-A1 INK COMPOSITION FOR FORMING AN ORGANIC LAYER OF A SEMICONDUCTOR Novaled GmbH (DE) 2018-10-03 EP claimed
WO-2025038479-A1 CARBON-FLUORINE BOND ACTIVATION BY ORGANIC PHOTOREDOX CATALYST AND PROCESSES FOR CONVERTING ORGANOFLUORIDES COLORADO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2025-02-20 WO disclosed
CN-118561684-A Synthesis method for preparing carbonyl chloride through cyano carburetion 中南大学 2024-08-30 CN disclosed
CN-118345390-A Method for preparing carbonyl compound by electrocatalytic oxidation of benzyl C-H bond by pyridine nitrogen oxide 浙江大学 2024-07-16 CN disclosed
CN-118251445-A Cyclic organosiloxane containing imide bond and polymerizable unsaturated bond and curable resin composition containing the same 信越化学工业株式会社 2024-06-25 CN disclosed
CN-112236464-B Resin composition, prepreg, metal foil-clad laminate, resin sheet, and printed wiring board 三菱瓦斯化学株式会社 2024-02-23 CN disclosed
US-11830980-B2 Lithium ion battery electrolyte additive NOHMs Technologies, Inc. (US) 2023-11-28 US disclosed
US-4536599-A HYDROLYZING THE NITRILE DERIVATIVE TO THE AMIDE USING AN ORGANIC QUATERNARY AMINE SALT CATALYST; EFFICIENCY SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1985-08-20 US disclosed
EP-0008532-B1 SYNTHESIS OF AMINES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1983-07-20 EP disclosed
EP-0008532-A1 Synthesis of amines SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1980-03-05 EP disclosed
US-4172782-A ORGANIC QUATERNARY AMMONIUM SALT USED IN ALKULATION OF BENZYLNITRILE WITH AN ORGANIC HALIDE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1979-10-30 US disclosed
US-4043634-A Liquid crystal electro optical element DAI NIPPON TORYO CO., LTD. (JA) 1977-08-23 US disclosed
US-4011173-A MODIFIED NEMATIC MIXTURES WITH POSITIVE DIELECTRIC ANISOTROPY MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DT) 1977-03-08 US disclosed
US-3977768-A Nematic liquid crystal compositions DAI NIPPON TORYO KAUBSHIKI KAISHA (JA) 1976-08-31 US disclosed