SCHEMBL26032461

SCHEMBL26032461

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

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.47
ALDH1A1 P00352 2/20 0.47
CYP2D6 P10635 1/20 0.36
CYP2C19 P33261 1/20 0.36
HIF1A Q16665 1/20 0.36
TP53 P04637 1/20 0.33
HMGCR P04035 1/20 0.32
CHRM1 P11229 1/20 0.32
TBXA2R P21731 1/20 0.32
ADRA1A P35348 1/20 0.32
FFAR3 O14843 1/20 0.31
LCK P06239 1/20 0.31
FYN P06241 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
SCHEMBL11126498 0.82 TSHR (0.38) TSHRALDH1A1CYP2D6CYP2C19HIF1A
SCHEMBL85493 0.81 TSHR (0.57) TSHRALDH1A1CYP2D6CYP2C19HIF1A
Ammonia Solution, Strong SCHEMBL28635068 0.77 TSHR (0.53) TSHRALDH1A1CYP2D6CYP2C19HIF1A
Ammonia Solution, Strong SCHEMBL28635066 0.77 TSHR (0.53) TSHRALDH1A1CYP2D6CYP2C19HIF1A
SCHEMBL28462729 0.74 TSHR (0.50) TSHRALDH1A1CYP2D6CYP2C19HIF1A
SCHEMBL847022 0.74 TSHR (0.50) TSHRALDH1A1CYP2D6CYP2C19HIF1A
SCHEMBL301639 0.74 TSHR (0.50) TSHRALDH1A1CYP2D6CYP2C19HIF1A
SCHEMBL14573217 0.74 TSHR (0.50) TSHRALDH1A1CYP2D6CYP2C19HIF1A
Ammonia Solution, Strong SCHEMBL25384796 0.71 TSHR (0.47) TSHRALDH1A1CYP2D6CYP2C19HIF1A
SCHEMBL28727686 0.71 TSHR (0.47) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230268172-A1 SUBSTRATE PROCESSING METHOD, SUBSTRATE PROCESSING DEVICE, AND PROCESSING FLUID SCREEN Holdings Co., Ltd. (JP) 2023-08-24 US disclosed