SCHEMBL28016171

SCHEMBL28016171

C=CC(=O)OCCCP(=O)(OC)OC

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.57
ALDH1A1 P00352 4/20 0.57
CYP3A4 P08684 2/20 0.57
HPGD P15428 1/20 0.56
TP53 P04637 3/20 0.47
HIF1A Q16665 3/20 0.47
HSD17B10 Q99714 1/20 0.47
THRB P10828 2/20 0.40
ATM Q13315 1/20 0.37
MAPK1 P28482 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HCAR2 Q8TDS4 3/20 0.33

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
SCHEMBL978215 0.89 TSHR (0.50) TSHRALDH1A1CYP3A4HPGDTP53
Methylamine SCHEMBL16970991 0.86 TSHR (0.47) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL2303000 0.83 TSHR (0.53) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL2304685 0.83 TSHR (0.58) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL8089941 0.81 TSHR (0.65) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL42398 0.79 TSHR (0.63) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL153585 0.79 TSHR (0.75) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL439108 0.79 TSHR (0.68) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL24604204 0.77 TSHR (0.60) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL21052653 0.77 TSHR (0.70) TSHRALDH1A1CYP3A4HPGDTP53

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109790350-A Copolymer compositions with phosphonate group 株式会社可乐丽 2019-05-21 CN disclosed
CN-106574020-B Copolymer and formed body 株式会社可乐丽 2019-03-19 CN disclosed
CN-104995223-B Copolymer and formed body 株式会社可乐丽 2017-09-08 CN disclosed
CN-104995223-A Copolymer and molded body KURARAY CO 2015-10-21 CN disclosed