SCHEMBL16760286

SCHEMBL16760286

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

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.50
ALDH1A1 P00352 2/20 0.50
HMGCR P04035 1/20 0.35
CHRM1 P11229 1/20 0.35
TBXA2R P21731 1/20 0.35
ADRA1A P35348 1/20 0.35
CYP2D6 P10635 1/20 0.33
CYP2C19 P33261 1/20 0.33
HIF1A Q16665 1/20 0.33
TET2 Q6N021 1/20 0.32
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
SCHEMBL8993334 0.76
SCHEMBL1566869 0.72
SCHEMBL7170877 0.72
SCHEMBL29155386 0.69
SCHEMBL21641702 0.69
Ammonia Solution, Strong SCHEMBL21641695 0.69
SCHEMBL31096474 0.69
Calcium SCHEMBL30740035 0.69
SCHEMBL1618313 0.68 ALDH1A1 (1.00) TSHRALDH1A1HMGCRCHRM1TBXA2R
SCHEMBL38460 0.68

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3890878-A2 AMORPHOUS METAL ORGANIC FRAMEWORKS AND METHODS OF PREPARING THE SAME Framergy Inc. (US) 2021-10-13 EP disclosed
WO-2020117833-A2 AMORPHOUS METAL ORGANIC FRAMEWORKS AND METHODS OF PREPARING THE SAME FRAMERGY INC. (US) 2020-06-11 WO disclosed
EP-3143033-A1 CHROMIUM METAL ORGANIC FRAMEWORKS AND SYNTHESIS OF METAL ORGANIC FRAMEWORKS The Texas A&M University System (US) 2017-03-22 EP disclosed
EP-3071579-A1 ALUMINIUM METAL ORGANIC FRAMEWORK MATERIALS The Texas A&M University System (US) 2016-09-28 EP disclosed
WO-2015177511-A1 METHOD OF PREPARING A METAL ORGANIC FRAMEWORK THE TEXAS A&M UNIVERSITY SYSTEM (US) 2015-11-26 WO disclosed
WO-2015173553-A1 Chromium Metal Organic Frameworks and Synthesis of Metal Organic Frameworks THE TEXAS A&M UNIVERSITY SYSTEM (US) 2015-11-19 WO disclosed
WO-2015079229-A1 PROCESS FOR PREPARING METAL ORGANIC FRAMEWORK MATERIALS THE TEXAS A&M UNIVERSITY SYSTEM (US) 2015-06-04 WO disclosed
WO-2015079230-A1 ALUMINIUM METAL ORGANIC FRAMEWORK MATERIALS THE TEXAS A&M UNIVERSITY SYSTEM (US) 2015-06-04 WO disclosed