SCHEMBL8798259

SCHEMBL8798259

CCC(C#N)=C(O)C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
FFAR3 O14843 1/20 0.36
ALDH1A1 P00352 2/20 0.31
TSHR P16473 1/20 0.31
TDP1 Q9NUW8 2/20 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
SCHEMBL11051239 1.00 FFAR3 (0.36) FFAR3ALDH1A1TSHRTDP1
SCHEMBL525227 0.78 ALDH1A1 (0.35) FFAR3ALDH1A1TSHRTDP1
SCHEMBL25436797 0.78 FFAR3 (0.35) FFAR3ALDH1A1TSHR
SCHEMBL2580161 0.78 ALDH1A1 (0.35) FFAR3ALDH1A1TSHRTDP1
SCHEMBL1275393 0.76 ALDH1A1 (0.42) ALDH1A1TSHR
SCHEMBL24014841 0.76 ALDH1A1 (0.52) ALDH1A1TSHRTDP1
SCHEMBL17808768 0.74 ALDH1A1 (0.38) ALDH1A1TDP1
SCHEMBL541120 0.73 FFAR3 (0.31) FFAR3
SCHEMBL4636489 0.73 ALDH1A1 (0.31) FFAR3ALDH1A1TSHR
SCHEMBL6443118 0.72 OR51E2 (0.37)

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
EP-0500209-B1 Pesticidal 1-(2-pyridyl)pyrazoles RHONE POULENC AGROCHIMIE (FR) 1997-09-17 EP disclosed
US-5306694-A Miticides, nematocides, aphicides, insecticides; applying to plants RHONE-POULENC INC. (US) 1994-04-26 US disclosed
EP-0500209-A1 Pesticidal 1-(2-pyridyl)pyrazoles RHONE-POULENC AGROCHIMIE (FR) 1992-08-26 EP disclosed