SCHEMBL103783

SCHEMBL103783

C=Cc1ccc(S(C)(C)C)cc1

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.58
TDP1 Q9NUW8 2/20 0.54
TSHR P16473 1/20 0.43
HDAC8 Q9BY41 3/20 0.42
TP53 P04637 1/20 0.34
TRPA1 O75762 1/20 0.33
CHRNB2 P17787 1/20 0.33
CHRNB4 P30926 1/20 0.33
CHRNA3 P32297 1/20 0.33
CHRNA7 P36544 1/20 0.33
CHRNA4 P43681 1/20 0.33
TAS1R3 Q7RTX0 1/20 0.31
TAS1R1 Q7RTX1 1/20 0.31
PTGS2 P35354 1/20 0.31
TGM2 P21980 1/20 0.31

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
SCHEMBL19276537 0.82 ALDH1A1 (0.55) ALDH1A1TDP1TSHRHDAC8TP53
SCHEMBL4774788 0.80 TDP1 (0.61) ALDH1A1TDP1PTGS2TGM2
SCHEMBL18896561 0.77 ALDH1A1 (0.48) ALDH1A1TDP1TSHRHDAC8TP53
SCHEMBL18065431 0.77 TDP1 (0.52) ALDH1A1TDP1TSHRHDAC8TP53
SCHEMBL7639 0.76 ALDH1A1 (1.00) ALDH1A1TDP1TSHRHDAC8TP53
SCHEMBL473081 0.76 ALDH1A1 (1.00) ALDH1A1TDP1TSHRHDAC8TP53
SCHEMBL22694011 0.76 ENPP2 (0.38) PTGS2
SCHEMBL21864410 0.75 ALDH1A1 (0.46) ALDH1A1TDP1TSHRHDAC8CHRNB2
SCHEMBL21162670 0.75 ALDH1A1 (0.46) ALDH1A1TDP1TSHRHDAC8CHRNB2
SCHEMBL177953 0.74 TDP1 (0.67) ALDH1A1TDP1TSHRHDAC8TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4306558-A1 BIOELECTRODE, PRODUCTION METHOD FOR BIOELECTRODE, AND MEASUREMENT METHOD FOR BIOSIGNALS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2024-01-17 EP disclosed
EP-3984456-B1 BIO-ELECTRODE COMPOSITION, BIO-ELECTRODE, METHOD FOR MANUFACTURING BIO-ELECTRODE, POLYMER COMPOUND, AND COMPOSITE SHINETSU CHEMICAL CO (JP) 2023-08-23 EP disclosed
EP-3995548-A1 BIO-ELECTRODE COMPOSITION, BIO-ELECTRODE, METHOD FOR MANUFACTURING BIOELECTRODE, AND REACTION COMPOSITE Shin-Etsu Chemical Co., Ltd. (JP) 2022-05-11 EP disclosed
US-20200040119-A1 BLOCK COPOLYMER AND PREPARATION METHOD AND APPLICATION THEREOF FUDAN UNIVERSITY (CN) 2020-02-06 US disclosed
US-10259907-B2 Block copolymers with surface-active junction groups, compositions and processes thereof AZ ELECTRONIC MATERIALS (LUXEMBOURG) S.À R.L. (LU) 2019-04-16 US disclosed
US-20170294341-A1 HIGH-CHI BLOCK COPOLYMERS FOR INTERCONNECT STRUCTURES BY DIRECTED SELF-ASSEMBLY ELPIS TECHNOLOGIES INC. (CA) 2017-10-12 US disclosed
US-9768059-B1 High-chi block copolymers for interconnect structures by directed self-assembly INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2017-09-19 US disclosed
WO-2017136466-A1 HEME PROTEIN CATALYSTS FOR CARBON-SILICON BOND FORMATION IN VITRO AND IN VIVO CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2017-08-10 WO disclosed
EP-2426178-A1 Active energy ray-curable ink composition, inkjet recording method, and inkjet printed article Fujifilm Corporation (JP) 2012-03-07 EP disclosed