Crotonic Acid

Crotonic Acid

SCHEMBL560763

C/C=C/C(=O)O.C/C=C\C(=O)O

nearest known ligand 0.57

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.57
TP53 P04637 1/20 0.57
EGLN1 Q9GZT9 1/20 0.57
EGLN3 Q9H6Z9 1/20 0.57
HCAR2 Q8TDS4 4/20 0.43
GABRP O00591 2/20 0.41
GABRD O14764 2/20 0.41
GABRA1 P14867 2/20 0.41
GABRB1 P18505 2/20 0.41
GABRG2 P18507 2/20 0.41
GABRB3 P28472 2/20 0.41
GABRA5 P31644 2/20 0.41
GABRA3 P34903 2/20 0.41
GABRA2 P47869 2/20 0.41
GABRB2 P47870 2/20 0.41
GABRA4 P48169 2/20 0.41
GABRE P78334 2/20 0.41
GABRA6 Q16445 2/20 0.41
GABRG1 Q8N1C3 2/20 0.41
GABRG3 Q99928 2/20 0.41

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
Crotonic Acid SCHEMBL1428157 1.00 TSHR (0.57) TSHRTP53EGLN1EGLN3HCAR2
Crotonic Acid SCHEMBL22034 1.00
Crotonic Acid SCHEMBL28429 1.00
Crotonic Acid SCHEMBL22033 1.00
Crotonic Acid SCHEMBL1427547 1.00 TSHR (0.57) TSHRTP53EGLN1EGLN3HCAR2
Crotonic Acid SCHEMBL167626 1.00 TSHR (0.57) TSHRTP53EGLN1EGLN3HCAR2
Crotonic Acid SCHEMBL1080122 1.00 TSHR (0.57) TSHRTP53EGLN1EGLN3HCAR2
Crotonic Acid SCHEMBL8676950 0.96
Crotonic Acid SCHEMBL6909283 0.96
Crotonic Acid SCHEMBL6909279 0.96

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120032093-A1 TAGGED SCALE INHIBITOR COMPOSITIONS AND METHODS OF INHIBITING SCALE KEMIRA CHEMICALS INC. (US) 2012-02-09 US disclosed
US-7943058-B2 Tagged scale inhibiting polymers, compositions comprised thereof and preventing or controlling scale formation therewith RHODIA CHIMIE (FR) 2011-05-17 US disclosed