SCHEMBL1743650

SCHEMBL1743650

CC(C)(C)CC(C(=O)O)(C(=O)O)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.42
ALDH1A1 P00352 2/20 0.42
CYP2D6 P10635 1/20 0.39
CYP2C19 P33261 1/20 0.39
HIF1A Q16665 1/20 0.39
HMGCR P04035 1/20 0.35
CHRM1 P11229 1/20 0.35
TBXA2R P21731 1/20 0.35
ADRA1A P35348 1/20 0.35
POLB P06746 1/20 0.34
TET2 Q6N021 1/20 0.32
GGT1 P19440 1/20 0.31
FFAR3 O14843 1/20 0.30
ACLY P53396 1/20 0.30
NAALAD2 Q9Y3Q0 1/20 0.30
TP53 P04637 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
Bicarbonate SCHEMBL26105671 0.76 TSHR (0.41) TSHRALDH1A1CYP2D6CYP2C19HIF1A
SCHEMBL14831849 0.75 TSHR (0.42) TSHRALDH1A1CYP2D6CYP2C19HIF1A
SCHEMBL17376853 0.75 TSHR (0.42) TSHRALDH1A1CYP2D6CYP2C19HIF1A
SCHEMBL85014 0.75 TSHR (0.42) TSHRALDH1A1CYP2D6CYP2C19HIF1A
SCHEMBL14341014 0.75 TSHR (0.36) TSHRALDH1A1CYP2D6CYP2C19HIF1A
SCHEMBL3411650 0.73 TSHR (0.47) TSHRALDH1A1CYP2D6CYP2C19HIF1A
SCHEMBL253116 0.73 ALDH1A1 (0.47) TSHRALDH1A1CYP2D6CYP2C19HIF1A
Hydrochloric Acid SCHEMBL30914361 0.73 TSHR (0.35) TSHRALDH1A1CYP2D6CYP2C19HIF1A
SCHEMBL17376848 0.71 TSHR (0.38) TSHRALDH1A1CYP2D6CYP2C19HIF1A
SCHEMBL20780743 0.71 TSHR (0.38) TSHRALDH1A1CYP2D6CYP2C19HIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2387735-B1 NONPOLYMERIC BINDERS FOR SEMICONDUCTOR SUBSTRATE COATINGS FUJIFILM ELECTRONIC MAT USA INC (US) 2019-03-13 EP disclosed
EP-2387735-A1 NONPOLYMERIC BINDERS FOR SEMICONDUCTOR SUBSTRATE COATINGS FujiFilm Electronic Materials USA, Inc. (US) 2011-11-23 EP disclosed
US-8037621-B2 Article of footwear including a woven strap system NIKE, INC. (US) 2011-10-18 US disclosed
WO-2010083350-A1 NONPOLYMERIC BINDERS FOR SEMICONDUCTOR SUBSTRATE COATINGS FUJIFILM ELECTRONIC MATERIALS U.S.A., INC. (US) 2010-07-22 WO disclosed