Crotonic Acid

Crotonic Acid

SCHEMBL1001174

C/C=C/C(=O)O.C=CC(=O)NC(CCC)S(=O)(=O)O

nearest known ligand 0.35

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.35
TAS1R3 Q7RTX0 1/20 0.35
TAS1R1 Q7RTX1 1/20 0.35
ZDHHC20 Q5W0Z9 1/20 0.33
ZDHHC2 Q9UIJ5 1/20 0.33
TGM2 P21980 1/20 0.30
ALDH1A1 P00352 1/20 0.30
GAA P10253 1/20 0.30
CHRM1 P11229 1/20 0.30
AKR1A1 P14550 1/20 0.30
CHRM3 P20309 1/20 0.30
HTR2A P28223 1/20 0.30
HTR2C P28335 1/20 0.30
ADRA1A P35348 1/20 0.30
HRH1 P35367 1/20 0.30
DRD3 P35462 1/20 0.30
SLC6A3 Q01959 1/20 0.30
HDAC1 Q13547 1/20 0.30
HDAC2 Q92769 1/20 0.30
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL21951 0.88 TSHR (0.44) TSHRTAS1R3TAS1R1ZDHHC20ZDHHC2
Ammonia Solution, Strong SCHEMBL139207 0.87 TSHR (0.42) TSHRTAS1R3TAS1R1ZDHHC20ZDHHC2
Methacrylic Acid SCHEMBL4180206 0.83 TSHR (0.37) TSHRTAS1R3TAS1R1ZDHHC20ZDHHC2
Acrylamide SCHEMBL6055790 0.82 TSHR (0.39) TSHRTAS1R3TAS1R1ZDHHC20ZDHHC2
Diethylamine SCHEMBL11696961 0.82 TSHR (0.39) TSHRTAS1R3TAS1R1ZDHHC20ZDHHC2
SCHEMBL27662774 0.79 ZDHHC20 (0.46) TSHRZDHHC20ZDHHC2TGM2
Acrylic Acid SCHEMBL27781016 0.79 ZDHHC20 (0.47) TSHRZDHHC20ZDHHC2TGM2
SCHEMBL34026 0.77 TSHR (0.48) TSHRZDHHC20ZDHHC2TGM2ALDH1A1
SCHEMBL28077512 0.77 TSHR (0.48) TSHRZDHHC20ZDHHC2TGM2ALDH1A1
SCHEMBL29161808 0.77 ZDHHC20 (0.51) TSHRZDHHC20ZDHHC2TGM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7875720-B2 Antiscaling agents; the monomer N-allyl-4-(2-N',N'-dimethylaminoethoxy)naphthalimide, methyl sulfate quaternary salt NALCO COMPANY (US) 2011-01-25 US disclosed
US-7601789-B2 Fluorescent monomers and tagged treatment polymers containing same for use in industrial water systems NALCO COMPANY (US) 2009-10-13 US disclosed
EP-1282732-B1 FLUORESCENT MONOMERS AND TAGGED TREATMENT POLYMERS CONTAINING SAME FOR USE IN INDUSTRIAL WATER SYSTEMS ONDEO NALCO CO (US) 2009-09-30 EP disclosed
US-7148351-B2 Fluorescent monomers and tagged treatment polymers containing same for use in industrial water systems NALCO COMPANY (US) 2006-12-12 US disclosed
US-20060254985-A1 Fluorescent monomers and tagged treatment polymers containing same for use in industrial water systems ECOLAB USA INC. 2006-11-16 US disclosed
EP-1282732-A4 FLUORESCENT MONOMERS AND TAGGED TREATMENT POLYMERS CONTAINING SAME FOR USE IN INDUSTRIAL WATER SYSTEMS ONDEO NALCO CO (US) 2004-12-22 EP disclosed
US-20040135125-A1 Fluorescent monomers and tagged treatment polymers containing same for use in industrial water systems ECOLAB USA INC. 2004-07-15 US disclosed
US-20040135124-A1 Fluorescent monomers and tagged treatment polymers containing same for use in industrial water systems ECOLAB USA INC. 2004-07-15 US disclosed
US-6645428-B1 Fluorescent monomers and tagged treatment polymers containing same for use in industrial water systems ONDEO NALCO COMPANY 2003-11-11 US disclosed
EP-1282732-A1 FLUORESCENT MONOMERS AND TAGGED TREATMENT POLYMERS CONTAINING SAME FOR USE IN INDUSTRIAL WATER SYSTEMS Ondeo Nalco Company (US) 2003-02-12 EP disclosed
WO-2001081654-A1 FLUORESCENT MONOMERS AND TAGGED TREATMENT POLYMERS CONTAINING SAME FOR USE IN INDUSTRIAL WATER SYSTEMS ONDEO NALCO COMPANY (US) 2001-11-01 WO disclosed