SCHEMBL25417536

SCHEMBL25417536

CCCC=CCC(C)C=O

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.38
FAAH O00519 2/20 0.33
TRPV1 Q8NER1 2/20 0.33
LTB4R Q15722 1/20 0.33
TAS1R3 Q7RTX0 1/20 0.31
TAS1R1 Q7RTX1 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
SCHEMBL17063005 0.85 FAAH (0.54) ALDH1A1FAAHTRPV1LTB4R
SCHEMBL17063004 0.85 FAAH (0.54) ALDH1A1FAAHTRPV1LTB4R
SCHEMBL4584154 0.84 TP53 (0.32)
SCHEMBL2614303 0.84 TP53 (0.32)
SCHEMBL17062998 0.83 FAAH (0.57) FAAHTRPV1LTB4R
SCHEMBL2417494 0.83 FAAH (0.57) FAAHTRPV1LTB4R
SCHEMBL16782940 0.83 FAAH (0.57) FAAHTRPV1LTB4R
SCHEMBL16782939 0.83 FAAH (0.57) FAAHTRPV1LTB4R
SCHEMBL17062996 0.83 FAAH (0.57) FAAHTRPV1LTB4R
SCHEMBL2417498 0.83 FAAH (0.57) FAAHTRPV1LTB4R

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-2023078909-A1 CYCLIC ACETALS AND KETALS FOR THE LIGHT-INDUCED RELEASE OF ACTIVE ALDEHYDES AND KETONES FIRMENICH SA (CH) 2023-05-11 WO disclosed
CN-1370229-A Nucleic acid fragment and vector contg. halogenase and method for halogenation of chemical compounds BASF AG (DE) 2002-09-18 CN disclosed