SCHEMBL6029952

SCHEMBL6029952

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

nearest known ligand 0.48

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.48
TSHR P16473 4/20 0.40
KDM4E B2RXH2 1/20 0.40
THRB P10828 1/20 0.32

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
SCHEMBL6029955 1.00 ALDH1A1 (0.48) ALDH1A1TSHRKDM4ETHRB
SCHEMBL5166725 0.81 ALDH1A1 (0.34) ALDH1A1TSHRKDM4E
SCHEMBL555676 0.81 TSHR (0.40) ALDH1A1TSHRKDM4E
SCHEMBL1518845 0.80 TSHR (0.52) ALDH1A1TSHRKDM4E
SCHEMBL155966 0.80 TSHR (0.52) ALDH1A1TSHRKDM4E
SCHEMBL155967 0.80 TSHR (0.52) ALDH1A1TSHRKDM4E
SCHEMBL22263599 0.80 KDM4E (0.41) ALDH1A1TSHRKDM4E
SCHEMBL8568253 0.79 ALDH1A1 (0.43) ALDH1A1TSHRTHRB
SCHEMBL8068615 0.78 ALDH1A1 (0.58) ALDH1A1TSHRTHRB
Butyric Acid SCHEMBL5282715 0.77 ALDH1A1 (0.62) ALDH1A1TSHRTHRB

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