SCHEMBL8395128

SCHEMBL8395128

C=C(O)C(=O)OCCCCO

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.44
ACHE P22303 6/20 0.39
ALDH1A1 P00352 1/20 0.37
CYP3A4 P08684 1/20 0.37
TDP1 Q9NUW8 2/20 0.37
POLB P06746 1/20 0.37
APEX1 P27695 1/20 0.37
HTT P42858 1/20 0.37
GPR84 Q9NQS5 1/20 0.36
FFAR1 O14842 1/20 0.36
FFAR4 Q5NUL3 1/20 0.36
GAA P10253 1/20 0.33
CYP4F2 P78329 1/20 0.33
CYP4A11 Q02928 1/20 0.33
CAMK2A Q9UQM7 1/20 0.33
THRB P10828 1/20 0.32
APP P05067 2/20 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
SCHEMBL28112100 0.93 TSHR (0.41) TSHRACHEALDH1A1CYP3A4TDP1
Acrylic Acid SCHEMBL28886910 0.90 TSHR (0.44) TSHRACHEALDH1A1CYP3A4TDP1
Methacrylic Acid SCHEMBL27848698 0.84 TSHR (0.47) TSHRACHEALDH1A1TDP1POLB
SCHEMBL2516798 0.83
SCHEMBL28066760 0.83 ACHE (0.45) TSHRACHEALDH1A1CYP3A4TDP1
SCHEMBL18712265 0.82 TSHR (0.48) TSHRACHEALDH1A1CYP3A4TDP1
SCHEMBL27379280 0.81 ACHE (0.41) TSHRACHEALDH1A1CYP3A4TDP1
SCHEMBL374973 0.80 ACHE (0.48) TSHRACHEALDH1A1CYP3A4GPR84
SCHEMBL14872 0.80 TSHR (0.68) TSHRACHEALDH1A1CYP3A4TDP1
SCHEMBL1375008 0.80 TSHR (0.42) TSHRACHEALDH1A1CYP3A4TDP1

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-103314062-B Preparation gives color and/or gives the method that the multilamellar of effect is painted 巴斯夫涂料有限公司 2016-08-17 CN disclosed
US-5973094-A Functional polymers WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 1999-10-26 US disclosed
EP-0794199-A2 Novel functional polymers WAKO PURE CHEMICAL INDUSTRIES, LTD (JP) 1997-09-10 EP disclosed