SCHEMBL28212425

SCHEMBL28212425

C=C(C)C(=O)OC=CC.[CaH2]

nearest known ligand 0.44

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.44
TSHR P16473 3/20 0.35
THRB P10828 1/20 0.33
TDP1 Q9NUW8 1/20 0.32

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
SCHEMBL866067 0.98
SCHEMBL25279 0.98
SCHEMBL195450 0.98
SCHEMBL28072427 0.95 ALDH1A1 (0.44) ALDH1A1TSHRTHRBTDP1
SCHEMBL27753541 0.95 ALDH1A1 (0.44) ALDH1A1TSHRTHRBTDP1
SCHEMBL27596446 0.95 ALDH1A1 (0.44) ALDH1A1TSHRTHRBTDP1
SCHEMBL27405631 0.95 ALDH1A1 (0.44) ALDH1A1TSHRTHRBTDP1
Bicarbonate SCHEMBL7078099 0.93 ALDH1A1 (0.42) ALDH1A1TSHRTHRBTDP1
Bicarbonate SCHEMBL28149723 0.93 ALDH1A1 (0.42) ALDH1A1TSHRTHRBTDP1
Ethylene Glycol SCHEMBL9235064 0.89 ALDH1A1 (0.39) ALDH1A1TSHRTHRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109575324-A The transparent flame-retarding PET master batch and its manufacturing method and purposes of a kind of chemical modification 宁波力达得为高分子科技有限公司 2019-04-05 CN claimed
CN-107974059-A A kind of polyester material based on recycled PET and preparation method thereof 广东工业大学 2018-05-01 CN claimed
CN-109575324-A The transparent flame-retarding PET master batch and its manufacturing method and purposes of a kind of chemical modification 宁波力达得为高分子科技有限公司 2019-04-05 CN disclosed
CN-107974059-A A kind of polyester material based on recycled PET and preparation method thereof 广东工业大学 2018-05-01 CN disclosed
CN-107974058-A A kind of composite polyester material based on recycled PET and preparation method thereof 广东工业大学 2018-05-01 CN disclosed