SCHEMBL1812866

SCHEMBL1812866

COC(=O)CC(O)(CO)C(=O)OC

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.39
USP2 O75604 1/20 0.38
LMNA P02545 1/20 0.38
HSD17B10 Q99714 2/20 0.36
MGAM O43451 1/20 0.36
GAA P10253 1/20 0.36
SI P14410 1/20 0.36
MGAM2 Q2M2H8 1/20 0.36
TET2 Q6N021 1/20 0.34
RECQL P46063 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
HPGD P15428 1/20 0.33
DGAT1 O75907 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
SCHEMBL168730 0.89 TSHR (0.43) TSHRUSP2LMNAHSD17B10MGAM
Methoxymethane SCHEMBL28184894 0.86 TSHR (0.42) TSHRUSP2LMNAHSD17B10MGAM
Ammonia Solution, Strong SCHEMBL28166385 0.86 TSHR (0.42) TSHRUSP2LMNAHSD17B10MGAM
SCHEMBL26316809 0.82 TSHR (0.37) TSHRUSP2LMNAHSD17B10MGAM
SCHEMBL23330 0.81 ALDH1A1 (0.44) TSHRUSP2LMNAHSD17B10MGAM
SCHEMBL14849447 0.81 MGAM (0.44) TSHRUSP2LMNAHSD17B10MGAM
SCHEMBL3822810 0.79 LMNA (0.36) TSHRUSP2LMNAHSD17B10MGAM
SCHEMBL2869333 0.78 CA4 (0.48) TSHRUSP2LMNAHSD17B10MGAM
SCHEMBL5399544 0.78 LMNA (0.39) TSHRUSP2LMNAHSD17B10MGAM
SCHEMBL18120860 0.78 LMNA (0.39) TSHRUSP2LMNAHSD17B10MGAM

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-8367877-B2 Methods of purifying 1,2,4-butanetriol ALLIANT TECHSYSTEMS INC. (US) 2013-02-05 US disclosed
US-20110118511-A1 METHODS OF PURIFYING 1,2,4-BUTANETRIOL AND COMPOSITIONS INCLUDING 1,2,4-BUTANETRIOL ALLIANT TECHSYSTEMS INC. (US) 2011-05-19 US disclosed