SCHEMBL8633154

SCHEMBL8633154

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

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.39
ALDH1A1 P00352 1/20 0.35
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35
TP53 P04637 2/20 0.32
DDAH1 O94760 1/20 0.31
LAP3 P28838 2/20 0.31
PGK1 P00558 1/20 0.30
PGK2 P07205 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
NPY1R P25929 1/20 0.30
NPY2R P49146 1/20 0.30
PMP22 Q01453 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
HCAR2 Q8TDS4 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
SCHEMBL8633151 0.88 TSHR (0.43) TSHRALDH1A1CA12CA1CA2
SCHEMBL6670948 0.79 HCAR2 (0.48) TSHRALDH1A1TDP1HCAR2
Ammonia Solution, Strong SCHEMBL27732641 0.78 TSHR (0.42) TSHRALDH1A1CA12CA1CA2
SCHEMBL11669684 0.76 TSHR (0.39) TSHRALDH1A1
SCHEMBL3020917 0.76 TSHR (0.42) TSHRALDH1A1CA12CA1CA2
Lactic Acid SCHEMBL28158391 0.75 TP53 (0.61) TSHRALDH1A1TP53DDAH1LAP3
SCHEMBL10609047 0.74 TSHR (0.45) TSHRALDH1A1CA12CA1CA2
Ammonia Solution, Strong SCHEMBL27753354 0.74 TSHR (0.41) TSHRALDH1A1CA12CA1CA2
SCHEMBL4943644 0.74 HCAR2 (0.53) TSHRALDH1A1TP53SMN1; SMN2HCAR2
SCHEMBL6667841 0.73 ALDH1A1 (0.46) ALDH1A1TP53HCAR2

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 5 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
EP-0667850-A1 TARTRONIC ACIDS, THEIR ACETALIC ETHERS AND O-ESTERS. DOMPE FARMACEUTICI SPA (IT) 1995-08-23 EP disclosed
WO-1994010127-A1 TARTRONIC ACIDS, THEIR ACETALIC ETHERS AND O-ESTERS DOMPE' FARMACEUTICI S.P.A. (IT) 1994-05-11 WO disclosed