SCHEMBL5373216

SCHEMBL5373216

[CH2]COC(=O)COCCOC

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.40
TSHR P16473 4/20 0.33
THRB P10828 1/20 0.31
ALDH1A1 P00352 3/20 0.30
TP53 P04637 2/20 0.30
HIF1A Q16665 2/20 0.30
HSD17B10 Q99714 1/20 0.30
NAMPT P43490 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
SCHEMBL9275566 0.85 TSHR (0.41) TDP1TSHRTHRBALDH1A1TP53
SCHEMBL2963385 0.81 GAA (0.46) TDP1TSHRTHRBALDH1A1HSD17B10
SCHEMBL4854022 0.80
SCHEMBL4849311 0.79 GAA (0.44) TDP1TSHRTHRBALDH1A1HSD17B10
SCHEMBL21934059 0.79 TDP1 (0.36) TDP1TSHRALDH1A1NAMPT
SCHEMBL3265777 0.79 TDP1 (0.36) TDP1TSHRALDH1A1NAMPT
SCHEMBL5359530 0.79 GAA (0.44) TDP1TSHRTHRBALDH1A1HSD17B10
SCHEMBL7647466 0.79 NAAA (0.36) TDP1TSHRALDH1A1NAMPT
SCHEMBL2965176 0.79 GAA (0.44) TDP1TSHRTHRBALDH1A1HSD17B10
SCHEMBL12967099 0.79 GAA (0.44) TDP1TSHRTHRBALDH1A1HSD17B10

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-7179581-B2 Resist composition and patterning process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2007-02-20 US disclosed
US-20040234885-A1 Resist composition and patterning process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2004-11-25 US disclosed