SCHEMBL27872120

SCHEMBL27872120

CC(C)(O)O.CCCOCC

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.48
HSD17B10 Q99714 1/20 0.40
TSHR P16473 3/20 0.39
THRB P10828 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
CES1 P23141 1/20 0.31

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
SCHEMBL28795156 0.88 HSD17B10 (0.43) ALDH1A1HSD17B10TSHRTHRBTDP1
SCHEMBL29076647 0.88 HSD17B10 (0.43) ALDH1A1HSD17B10TSHRTHRBTDP1
Methyl Alcohol SCHEMBL29142809 0.84
SCHEMBL43291 0.84
SCHEMBL27855474 0.83 TSHR (0.50) ALDH1A1TSHRTHRBCES1
Tert-Butanol SCHEMBL27549821 0.81 ALDH1A1 (0.53) ALDH1A1TSHRTHRB
Water SCHEMBL1702515 0.81 ALDH1A1 (0.50) ALDH1A1HSD17B10TSHRTHRBTDP1
SCHEMBL29978790 0.81
SCHEMBL28834132 0.81
SCHEMBL2473861 0.81 ALDH1A1 (0.50) ALDH1A1HSD17B10TSHRTHRBTDP1

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
CN-101883957-B Refrigerant compressor and refrigerating cycle HITACHI APPLIANCES INC 2012-05-02 CN disclosed