SCHEMBL6028893

SCHEMBL6028893

C=C(C)C(=O)OC.CC1CC(C(=O)O)=C1C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.50
TSHR P16473 1/20 0.31

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
SCHEMBL344894 0.80
SCHEMBL10773952 0.78 ALDH1A1 (0.62) ALDH1A1TSHR
Cyclohexane SCHEMBL15844071 0.73 ALDH1A1 (0.83) ALDH1A1TSHR
SCHEMBL5432413 0.73 ALDH1A1 (0.83) ALDH1A1TSHR
SCHEMBL8408211 0.73 ALDH1A1 (0.83) ALDH1A1TSHR
Cyclohexane SCHEMBL489150 0.73 ALDH1A1 (0.83) ALDH1A1TSHR
SCHEMBL20530993 0.73 ALDH1A1 (0.83) ALDH1A1TSHR
Vinyl Chloride SCHEMBL11169802 0.73
Hydrogen Peroxide SCHEMBL9143793 0.73
SCHEMBL1412995 0.72 ALDH1A1 (0.34) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7052708-B2 Compositions and methods of crop protection THE CORATO FOUNDATION (US) 2006-05-30 US disclosed
US-6926901-B2 Suberization of a polymeric sustain release matrix for animal repellancy THE CORATO FOUNDATION (US) 2005-08-09 US disclosed
US-20040151750-A1 matrix of biopolymers (e.g., a bioerodible polymer and/or a non-absorbable polymer) and repellant chemicals (e.g.,animal repellants such as alkaloids isolated from the family Narcissus) permits sustained release of the chemicals. O' LEARY ROBERT (US) 2004-08-05 US disclosed
US-20030202998-A1 Suberization of a polymeric sustain release matrix for animal repellancy CORATO FOUNDATION, THE 2003-10-30 US disclosed
US-6565867-B1 Using plant extract toxin THE CORATO FOUNDATION 2003-05-20 US disclosed