Acrylic Acid

Acrylic Acid

SCHEMBL7179546

C=CC(=O)[O-].O=C([O-])c1ccccc1[N+](=O)[O-].[Zn+2]

nearest known ligand 0.53

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.53
▸ CTSD P07339 1/20 0.50
▸ CYP1A2 P05177 1/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ CYP2D6 P10635 1/20 0.44
▸ CYP2C9 P11712 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ MAPT P10636 3/20 0.43
▸ KDM4E B2RXH2 2/20 0.43
▸ TDP1 Q9NUW8 2/20 0.43
▸ GAA P10253 2/20 0.43
▸ HTT P42858 2/20 0.43
▸ ALPL P05186 1/20 0.43
▸ NCOA1 Q15788 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ NCOA3 Q9Y6Q9 1/20 0.43
▸ TSHR P16473 1/20 0.42
▸ MEN1 O00255 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42

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 SCHEMBL7179511 0.97 ALDH1A1 (0.53) ALDH1A1CTSDCYP1A2CYP3A4CYP2D6
Acrylic Acid SCHEMBL7185194 0.97 ALDH1A1 (0.53) ALDH1A1CTSDCYP1A2CYP3A4CYP2D6
Zinc Ion SCHEMBL4587798 0.89 ALDH1A1 (0.63) ALDH1A1CTSDCYP1A2CYP3A4CYP2D6
SCHEMBL9125311 0.86 ALDH1A1 (0.63) ALDH1A1CTSDCYP1A2CYP3A4CYP2D6
SCHEMBL124875 0.86 ALDH1A1 (0.63) ALDH1A1CTSDCYP1A2CYP3A4CYP2D6
SCHEMBL13571477 0.86 ALDH1A1 (0.63) ALDH1A1CTSDCYP1A2CYP3A4CYP2D6
SCHEMBL4588661 0.86 ALDH1A1 (0.63) ALDH1A1CTSDCYP1A2CYP3A4CYP2D6
Potassium Ion SCHEMBL625576 0.86 ALDH1A1 (0.63) ALDH1A1CTSDCYP1A2CYP3A4CYP2D6
SCHEMBL21433686 0.86 ALDH1A1 (0.63) ALDH1A1CTSDCYP1A2CYP3A4CYP2D6
SCHEMBL4588657 0.86 ALDH1A1 (0.63) ALDH1A1CTSDCYP1A2CYP3A4CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6630079-B2 Bis(2- pyridinethiol-1-oxide) copper salt, does not exert any adverse influence on the storage stability or antifouling effect, and the effect of the salt does not change by the coating with an acrylic resin API CORPORATION (JP) 2003-10-07 — — US disclosed
EP-1080640-B1 COATED BIS(2-PYRIDINETHIOL-1-OXIDE)COPPER SALT API CORP (JP) 2003-09-10 — — EP disclosed
US-20030124085-A1 Coated bis (2-pyridinethiol-1-oxide) copper salt API CORPORATION (JP) 2003-07-03 — — US disclosed
US-6544440-B1 Antifouling active ingredient for a coating for the bottom of a ship, which is safe during handling; rosin coated; biocides API CORPORATION (JP) 2003-04-08 — — US disclosed
EP-1227111-A1 TRIPHENYLBORON-CONTAINING POLYMERS AND USE THEREOF Yoshitomi Fine Chemicals, Ltd. (JP) 2002-07-31 — — EP disclosed
EP-1080640-A1 COATED BIS(2-PYRIDINETHIOL 1-OXIDE) COPPER SALT Yoshitomi Fine Chemicals, Ltd. (JP) 2001-03-07 — — EP disclosed
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