SCHEMBL7769982

SCHEMBL7769982

CC(Br)OC(=O)C(O)CO

nearest known ligand 0.39

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
OR51E2 Q9H255 1/20 0.39
TDP1 Q9NUW8 1/20 0.33
PRKCA P17252 2/20 0.32
FAAH O00519 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
SCHEMBL3765857 0.81 TSHR (0.42) OR51E2TDP1PRKCA
SCHEMBL4440312 0.79 OR51E2 (0.40) OR51E2TDP1PRKCAFAAH
SCHEMBL10782622 0.76 OR51E2 (0.42) OR51E2
SCHEMBL4623778 0.76 CYP19A1 (0.40) OR51E2TDP1
SCHEMBL18175971 0.72 OR51E2 (0.34) OR51E2TDP1
SCHEMBL3059378 0.72 OR51E2 (0.34) OR51E2
SCHEMBL11052245 0.72
Propylene Glycol SCHEMBL6153192 0.71 TDP1 (0.50) OR51E2TDP1
SCHEMBL116746 0.71 CA12 (0.42) OR51E2TDP1
Glycolic Acid SCHEMBL4799296 0.71 OR51E2 (0.43) OR51E2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0687722-B1 Biodegradable fabric conditioning molecules based on glyceric acid UNILEVER PLC (GB) 2001-08-29 EP disclosed
US-5500139-A Biodegradable fabric conditioning molecules based on glyceric acid LEVER BROTHERS COMPANY, DIVISION OF CONOPCO, INC. (US) 1996-03-19 US disclosed
EP-0687722-A1 Biodegradable fabric conditioning molecules based on glyceric acid UNILEVER PLC (GB) 1995-12-20 EP disclosed
US-5456846-A Contacting fabrics with aqueous solution of quaternary ammonium substituted glyceric acid ester or amide LEVER BROTHERS COMPANY (US) 1995-10-10 US disclosed