Acrylic Acid

Acrylic Acid

SCHEMBL516623

C=CC(=O)O.C=CC(=O)OCC(CC)CCCC.C=COC(C)=O

nearest known ligand 0.74

Full drug profile on Sugi Atlas →

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.74
CYP3A4 P08684 4/20 0.47
TDP1 Q9NUW8 2/20 0.47
ATM Q13315 1/20 0.47
RECQL P46063 1/20 0.43
ALDH1A1 P00352 5/20 0.42
CA2 P00918 3/20 0.42
HPGD P15428 1/20 0.42
LMNA P02545 3/20 0.39
MAPK1 P28482 3/20 0.38
HSD17B10 Q99714 1/20 0.38
PRSS1 P07477 1/20 0.38
PRSS2 P07478 1/20 0.38
PRSS3 P35030 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
HCAR2 Q8TDS4 2/20 0.34
MMP9 P14780 1/20 0.34
MMP8 P22894 1/20 0.34
MMP14 P50281 1/20 0.34

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
Acrylic Acid SCHEMBL11282590 0.97 TSHR (0.71) TSHRCYP3A4TDP1ATMRECQL
Acrylic Acid Ethyl Ester SCHEMBL11247075 0.96 TSHR (0.69) TSHRCYP3A4TDP1ATMRECQL
SCHEMBL560438 0.96 TSHR (0.81) TSHRCYP3A4TDP1ATMRECQL
Acrylic Acid SCHEMBL16151343 0.95 TSHR (0.67) TSHRCYP3A4TDP1ATMRECQL
Acrylic Acid SCHEMBL560619 0.93 TSHR (0.64) TSHRCYP3A4TDP1ATMRECQL
SCHEMBL6133965 0.91 TSHR (0.72) TSHRCYP3A4TDP1ATMRECQL
Acrylic Acid SCHEMBL2282780 0.91 TSHR (0.91) TSHRCYP3A4TDP1ATMRECQL
SCHEMBL6133318 0.90 TSHR (0.71) TSHRCYP3A4TDP1ATMRECQL
SCHEMBL8746231 0.90 TSHR (0.62) TSHRCYP3A4TDP1ATMRECQL
Acrylic Acid Methyl Ester SCHEMBL28779743 0.89 TSHR (0.59) TSHRCYP3A4TDP1ATMRECQL

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
EP-2399607-B1 TRANSDERMAL PREPARATION HISAMITSU PHARMACEUTICAL CO (JP) 2017-11-29 EP disclosed
US-8702664-B2 Transdermal preparation HISAMITSU PHARMACEUTICAL CO., INC. (JP) 2014-04-22 US disclosed
US-20120031047-A1 METHOD FOR STORING TRANSDERMALLY/TRANSMUCOSALLY ABSORBABLE PREPARATION AND PACKAGE OF TRANSDERMALLY/TRANSMUCOSALLY ABSORBABLE PREPARATION HISAMITSU PHARMACEUTICAL CO., INC. (JP) 2012-02-09 US disclosed
US-20120029446-A1 TRANSDERMAL PREPARATION HISAMITSU PHARMACEUTICAL CO., INC. (JP) 2012-02-02 US disclosed