SCHEMBL28876644

SCHEMBL28876644

C=C(C)C(=O)OC(=C)C(=O)OC.[CH2]CO

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.56
TSHR P16473 3/20 0.36
THRB P10828 1/20 0.34
HSD17B10 Q99714 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
MGAM O43451 1/20 0.30
GAA P10253 1/20 0.30
SI P14410 1/20 0.30
MGAM2 Q2M2H8 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
Ethylene Glycol SCHEMBL28329271 0.92 ALDH1A1 (0.56) ALDH1A1TSHRTHRBHSD17B10TDP1
SCHEMBL27283653 0.91 ALDH1A1 (0.67) ALDH1A1TSHRTHRBHSD17B10TDP1
Fluoride SCHEMBL28207234 0.89 ALDH1A1 (0.64) ALDH1A1TSHRTHRBHSD17B10TDP1
SCHEMBL28067282 0.89 ALDH1A1 (0.64) ALDH1A1TSHRTHRBHSD17B10TDP1
Hydrochloric Acid SCHEMBL28140491 0.89 ALDH1A1 (0.64) ALDH1A1TSHRTHRBHSD17B10TDP1
Propanol SCHEMBL28289758 0.88 ALDH1A1 (0.52) ALDH1A1TSHRTHRB
SCHEMBL28095168 0.87 ALDH1A1 (0.47) ALDH1A1TSHRTHRB
Methacrylic Acid SCHEMBL28108360 0.85 ALDH1A1 (0.58) ALDH1A1TSHRTHRBHSD17B10TDP1
Di(Hydroxyethyl)Ether SCHEMBL28283064 0.85 ALDH1A1 (0.48) ALDH1A1TSHRTHRB
SCHEMBL28106533 0.83 ALDH1A1 (0.56) ALDH1A1TSHRTHRBHSD17B10TDP1

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-110325173-A Skin cosmetic 日清纺控股株式会社 2019-10-11 CN disclosed