SCHEMBL4051899

SCHEMBL4051899

Cc1ccccc1C(C=CI)CC(=O)O

nearest known ligand 0.42

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CTSA P10619 20/20 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
SCHEMBL7518828 0.79 CTSA (0.43) CTSA
SCHEMBL2794839 0.77 CTSA (0.49) CTSA
SCHEMBL30781885 0.75 GABBR2 (0.48) CTSA
SCHEMBL658439 0.75 GABBR2 (0.48) CTSA
SCHEMBL2320843 0.74 CTSA (0.47) CTSA
SCHEMBL6841260 0.74 FFAR1 (0.49) CTSA
SCHEMBL5720952 0.74 CTSA (0.47) CTSA
SCHEMBL3448381 0.74 CTSA (0.47) CTSA
SCHEMBL2320833 0.74 CTSA (0.47) CTSA
Hydrochloric Acid SCHEMBL14108446 0.73 CTSA (0.46) CTSA

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
WO-2009110655-A1 NOVEL BETA SUBSTITUTED MORITA-BAYLIS-HILLMAN DERIVATIVES SUNGKYUNKWAN UNIVERSITY FOUNDATION FOR CORPORATE COLLABORATION (KR) 2009-09-11 WO claimed
WO-2009110655-A1 NOVEL BETA SUBSTITUTED MORITA-BAYLIS-HILLMAN DERIVATIVES SUNGKYUNKWAN UNIVERSITY FOUNDATION FOR CORPORATE COLLABORATION (KR) 2009-09-11 WO disclosed