SCHEMBL7603975

SCHEMBL7603975

C=C(CCC)C(=O)N(OCCO)OCCO

nearest known ligand 0.31

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.31
MGLL Q99685 1/20 0.31
CNR2 P34972 1/20 0.30
TRPV1 Q8NER1 1/20 0.30
CES2 O00748 1/20 0.30
CES1 P23141 1/20 0.30
ACHE P22303 1/20 0.30

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
SCHEMBL8619508 0.85 ALDH1A1 (0.30) ALDH1A1
SCHEMBL28641887 0.76 ALDH1A1 (0.37) ALDH1A1MGLLCNR2TRPV1CES2
SCHEMBL8051943 0.76 TSHR (0.33) ALDH1A1
SCHEMBL8734465 0.72 ALDH1A1 (0.38) ALDH1A1
SCHEMBL2696755 0.71 TSHR (0.41) ALDH1A1MGLLCES2CES1ACHE
SCHEMBL429458 0.69 ALDH1A1 (0.41) ALDH1A1CES2CES1
SCHEMBL675176 0.69 CES2 (0.39) ALDH1A1CES2CES1
SCHEMBL9577443 0.67
SCHEMBL7567707 0.67 ALDH1A1 (0.40) ALDH1A1ACHE
SCHEMBL1629859 0.67 LMNA (0.41) ALDH1A1MGLLCES2CES1ACHE

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
JP-3313712-B2 2002-08-12 JP claimed
EP-0615525-B1 HYDROPHILIC POLY-(N-SUBSTITUTED)ACRYLAMIDE GELS AND THEIR USE IN ELECTROKINETIC AND CHROMATOGRAPHIC METHODOLOGIES RIGHETTI PIER GIORGIO (IT) 1998-05-13 EP claimed
US-5470916-A Formulations for polyacrylamide matrices in electrokinetic and chromatographic methodologies RIGHETTI PIER G (IT) 1995-11-28 US claimed
EP-0615525-A1 HYDROPHILIC POLY-(N-SUBSTITUTED)ACRYLAMIDE GELS AND THEIR USE IN ELECTROKINETIC AND CHROMATOGRAPHIC METHODOLOGIES RIGHETTI, Pier Giorgio (IT) 1994-09-21 EP claimed
WO-1993011174-A1 NEW FORMULATIONS FOR POLYACRYLAMIDE MATRICES IN ELECTROKINETIC AND CHROMATOGRAPHIC METHODOLOGIES RIGHETTI PIER GIORGIO (IT) 1993-06-10 WO claimed