SCHEMBL3751305

SCHEMBL3751305

C=CC(CC)C(=O)O.C=CCC(=O)O

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.33
ALDH1A1 P00352 2/20 0.33
ALOX15 P16050 1/20 0.33
TSHR P16473 2/20 0.32
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
BLM P54132 1/20 0.32
SLC6A3 Q01959 1/20 0.32
MEN1 O00255 1/20 0.32
NFKB1 P19838 1/20 0.32
CYP2C19 P33261 1/20 0.32
KMT2A Q03164 1/20 0.32
FFAR3 O14843 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
SCHEMBL26620 0.87
SCHEMBL14533808 0.87
Ethylene SCHEMBL3936195 0.84 TSHR (0.36) CYP2D6ALDH1A1TSHRSLC6A2SLC6A4
Acetic Acid SCHEMBL459122 0.82 FFAR3 (0.35) CYP2D6ALDH1A1TSHRSLC6A2SLC6A4
SCHEMBL4452850 0.81 GPR84 (0.44) ALDH1A1TSHRBLM
Ethylene SCHEMBL28194394 0.78 CYP2D6 (0.32) CYP2D6ALDH1A1ALOX15TSHRSLC6A2
SCHEMBL28301756 0.77 ALDH1A1 (0.43) CYP2D6ALDH1A1ALOX15TSHRSLC6A2
Propionic Acid SCHEMBL462525 0.77 FFAR3 (0.56) CYP2D6ALDH1A1ALOX15TSHRSLC6A2
Alcohol SCHEMBL7211584 0.77
SCHEMBL10345897 0.77 CA2 (0.34) ALDH1A1TSHRSLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7836630-B2 Method of protecting seeds treated with a phytotoxic agent MONSANTO TECHNOLOGY LLC (US) 2010-11-23 US claimed
EP-1566996-B1 METHOD OF PROTECTING SEEDS TREATED WITH A PHYTOTOXIC AGENT MONSANTO TECHNOLOGY LLC (US) 2009-11-11 EP claimed
WO-2004049778-A9 METHOD OF PROTECTING SEEDS TREATED WITH A PHYTOTOXIC AGENT MONSANTO TECHNOLOGY LLC (US) 2005-09-22 WO claimed
EP-1566996-A1 METHOD OF PROTECTING SEEDS TREATED WITH A PHYTOTOXIC AGENT Monsanto Technology LLC (US) 2005-08-31 EP claimed
US-20040118040-A1 Method of protecting seeds treated with a phytotoxic agent MONSANTO TECHNOLOGY, L.L.C. 2004-06-24 US claimed
WO-2004049778-A1 METHOD OF PROTECTING SEEDS TREATED WITH A PHYTOTOXIC AGENT MONSANTO TECHNOLOGY, LLC (US) 2004-06-17 WO claimed
EP-1566996-B1 METHOD OF PROTECTING SEEDS TREATED WITH A PHYTOTOXIC AGENT MONSANTO TECHNOLOGY LLC (US) 2009-11-11 EP disclosed