SCHEMBL8633151

SCHEMBL8633151

COCCOC(=O)C(O)C(=O)OCCOC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.43
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
ALDH1A1 P00352 4/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
GAA P10253 2/20 0.32
RAB9A P51151 1/20 0.32
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
POLB P06746 1/20 0.31
MAPT P10636 1/20 0.31
THRB P10828 1/20 0.31
HPGD P15428 1/20 0.31
RECQL P46063 1/20 0.31
XIAP P98170 1/20 0.31
KMT2A Q03164 1/20 0.31
PLEC Q15149 1/20 0.31
NPSR1 Q6W5P4 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
SCHEMBL8633154 0.88 TSHR (0.39) TSHRCA12CA1CA2CA9
SCHEMBL3020917 0.82 TSHR (0.42) TSHRCA12CA1CA2CA9
Ammonia Solution, Strong SCHEMBL27753354 0.80 TSHR (0.41) TSHRCA12CA1CA2CA9
SCHEMBL10609047 0.80 TSHR (0.45) TSHRCA12CA1CA2CA9
SCHEMBL863124 0.79 TSHR (0.43) TSHRCA12CA1CA2CA9
SCHEMBL9936918 0.77 TSHR (0.42) TSHRCA12CA1CA2CA9
SCHEMBL9126872 0.77 TSHR (0.42) TSHRCA12CA1CA2CA9
SCHEMBL13419853 0.77 MEN1 (0.44) TSHRCA12CA1CA2CA9
SCHEMBL577006 0.76
SCHEMBL6670943 0.76 HCAR2 (0.43) TSHRALDH1A1KDM4EHPGD

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
US-5773465-A Tartronic acids, their acetalic ethers and o-esters DOMPE FARMACEUTICI S.P.A. (IT) 1998-06-30 US disclosed
US-5656656-A Tartronic acids, their acetalic ethers and O-esters DOMPE FARMACEUTICI S.P.A. (IT) 1997-08-12 US disclosed
EP-0667850-B1 TARTRONIC ACIDS, THEIR ACETALIC ETHERS AND O-ESTERS DOMPE FARMACEUTICI SPA (IT) 1997-05-28 EP disclosed
WO-1994010127-A1 TARTRONIC ACIDS, THEIR ACETALIC ETHERS AND O-ESTERS DOMPE' FARMACEUTICI S.P.A. (IT) 1994-05-11 WO disclosed