SCHEMBL722075

SCHEMBL722075

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

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.41
TSHR P16473 3/20 0.41
TP53 P04637 1/20 0.35
HMGCR P04035 1/20 0.33
CHRM1 P11229 1/20 0.33
TBXA2R P21731 1/20 0.33
ADRA1A P35348 1/20 0.33
ACLY P53396 3/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C19 P33261 1/20 0.32
HIF1A Q16665 1/20 0.32
TET2 Q6N021 1/20 0.31
CPT2 P23786 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
SCHEMBL721800 0.77 ALDH1A1 (0.41) ALDH1A1TSHRTP53HMGCRCHRM1
SCHEMBL1701559 0.74 ALDH1A1 (0.39) ALDH1A1TSHRTP53HMGCRCHRM1
SCHEMBL30970937 0.72 TSHR (0.39) ALDH1A1TSHRTP53HMGCRCHRM1
SCHEMBL95160 0.72 ALDH1A1 (0.58) ALDH1A1TSHRHMGCRCHRM1TBXA2R
SCHEMBL4540907 0.72 ALDH1A1 (0.44) ALDH1A1TSHRTP53HMGCRCHRM1
SCHEMBL722035 0.69 ALDH1A1 (0.35) ALDH1A1TSHRTP53
SCHEMBL27466021 0.69 ALDH1A1 (0.55) ALDH1A1TSHRHMGCRCHRM1TBXA2R
SCHEMBL1704637 0.67 ALDH1A1 (0.40) ALDH1A1TSHRHMGCRCHRM1TBXA2R
SCHEMBL3737169 0.67 LMNA (0.44) ALDH1A1TSHRHMGCRCHRM1TBXA2R
SCHEMBL21051761 0.67 ALDH1A1 (0.39) ALDH1A1TSHRHMGCRCHRM1TBXA2R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120048295-A1 CLEANING FORMULATION FOR REMOVING RESIDUES ON SURFACES FUJIFILM ELECTRONIC MATERIALS U.S.A., INC. (US) 2012-03-01 US disclosed
WO-2010104816-A1 CLEANING FORMULATION FOR REMOVING RESIDUES ON SURFACES FUJIFILM ELECTRONIC MATERIALS U.S.A., INC. (US) 2010-09-16 WO disclosed