SCHEMBL9838899

SCHEMBL9838899

C=CC(=O)OCCC(O)CCO

nearest known ligand 0.61

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.61
ALDH1A1 P00352 4/20 0.50
TP53 P04637 3/20 0.50
HIF1A Q16665 3/20 0.50
CYP3A4 P08684 2/20 0.50
HSD17B10 Q99714 1/20 0.50
MAPK1 P28482 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
HPGD P15428 1/20 0.46
THRB P10828 3/20 0.39

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
SCHEMBL6368712 0.92 TSHR (0.58) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL29943297 0.89 TSHR (0.57) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL3292973 0.86 TSHR (0.57) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL19456772 0.86 TSHR (0.57) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL29277897 0.86 TSHR (0.57) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL28972110 0.85 TSHR (0.50) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL11767395 0.83 TSHR (0.48) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL641953 0.83 TSHR (0.58) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL27821518 0.83 TSHR (0.58) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL27800523 0.83 TSHR (0.58) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106547168-B Black matrix material composition and application 深圳市华星光电技术有限公司 2020-09-01 CN disclosed
US-5057560-A Thermotropic copolymer hydrogels from N,N-dimethylacrylamide and methoxy-ethyl (meth) acrylate CIBA-GEIGY CORPORATION (US) 1991-10-15 US disclosed