SCHEMBL9704541

SCHEMBL9704541

C=C(C)COCC(=C)COCC(=C)C

nearest known ligand 0.35

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.35
TDP1 Q9NUW8 1/20 0.35

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
SCHEMBL608739 0.90
SCHEMBL15898194 0.86 HSD17B10 (0.30) HSD17B10TDP1
Ethylene Glycol SCHEMBL631461 0.81 HSD17B10 (0.35) HSD17B10TDP1
SCHEMBL7260763 0.78 HSD17B10 (0.37) HSD17B10TDP1
SCHEMBL631462 0.78 HSD17B10 (0.37) HSD17B10TDP1
1,4-Butanediol SCHEMBL871698 0.77 SMN1; SMN2 (0.36) HSD17B10TDP1
SCHEMBL11817049 0.77 ALDH1A1 (0.56) HSD17B10TDP1
SCHEMBL367825 0.75
SCHEMBL347964 0.75 MEN1 (0.35) HSD17B10TDP1
SCHEMBL229103 0.75

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-5113000-A Multifunctional, sealers for semiconductors, improved adhesion TOSHIBA SILICONE CO., LTD. (JP) 1992-05-12 US disclosed