SCHEMBL8942520

SCHEMBL8942520

C=CC(=O)OCCS(=O)(=O)O.O=[Cr](=O)(O)O

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.48
ALDH1A1 P00352 4/20 0.48
TP53 P04637 3/20 0.48
HIF1A Q16665 3/20 0.48
CYP3A4 P08684 2/20 0.48
HSD17B10 Q99714 1/20 0.48
HPGD P15428 1/20 0.44
THRB P10828 2/20 0.38
MAPK1 P28482 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL16327 0.92 TSHR (0.56) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL1302280 0.90 TSHR (0.54) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL5053935 0.90 TSHR (0.54) TSHRALDH1A1TP53HIF1ACYP3A4
Ammonia Solution, Strong SCHEMBL1254117 0.90 TSHR (0.54) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL8861475 0.90 TSHR (0.54) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL8861451 0.90 TSHR (0.54) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL165903 0.90 TSHR (0.54) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL6916022 0.85 TSHR (0.48) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL27954421 0.82 TSHR (0.46) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL11824089 0.81 TSHR (0.70) TSHRALDH1A1TP53HIF1ACYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5538078-A USEFUL FOR HEAT EXCHANGERS; HYDROPHILIC PROPERTIES; WATER RESISTANCE; RESISTANCE TO SWELLING IN WATER; TREATMENT WITH POLYMERIC COMPOSITION THAT FORMS WATER-INSOLUBLE, THREE-DIMENSIONAL NETWORK STRUCTURE NIPPONDENSO CO., LTD. 1996-07-23 US disclosed