SCHEMBL28801665

SCHEMBL28801665

C=C(C=C(C)C(=O)OCC1CO1)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.54
MGLL Q99685 6/20 0.44
TDP1 Q9NUW8 1/20 0.39

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
Benzoic Acid SCHEMBL31405528 0.81 ALDH1A1 (0.69) ALDH1A1MGLLTDP1
Benzophenone SCHEMBL11799146 0.81 ALDH1A1 (0.69) ALDH1A1MGLL
SCHEMBL7039423 0.81 ALDH1A1 (0.69) ALDH1A1MGLL
SCHEMBL4441961 0.80 ALDH1A1 (0.54) ALDH1A1MGLLTDP1
SCHEMBL7759579 0.80 AKR1C3 (0.51) ALDH1A1MGLL
Benzoyl Peroxide SCHEMBL11297982 0.79 ALDH1A1 (0.66) ALDH1A1MGLL
Phenol SCHEMBL20139028 0.78 ALDH1A1 (0.49) ALDH1A1MGLLTDP1
SCHEMBL9321102 0.78 ALDH1A1 (0.59) ALDH1A1MGLL
SCHEMBL17865627 0.78 ALDH1A1 (0.59) ALDH1A1MGLL
SCHEMBL17865628 0.78 ALDH1A1 (0.59) ALDH1A1MGLL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102964683-B Polypropylene modified master batch and low-residual solvent polypropylene flexible package thin film BEIJING INST GRAPHIC COMM 2014-12-03 CN claimed
CN-102964684-B Modified auxiliary capable of improving printing compound performance of polypropylene film, preparation method and application BEIJING INST GRAPHIC COMM 2015-01-07 CN disclosed
CN-102964684-A Modified auxiliary capable of improving printing compound performance of polypropylene film, preparation method and application BEIJING INST GRAPHIC COMM 2013-03-13 CN disclosed