SCHEMBL6871128

SCHEMBL6871128

CCCCCCCCCCCCCCCCC(Br)(Br)C(=O)Cl

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.46
TSHR P16473 1/20 0.46
FDPS P14324 10/20 0.44
SMPD1 P17405 2/20 0.44
CES2 O00748 1/20 0.44
GGPS1 O95749 6/20 0.42

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
SCHEMBL5975168 1.00 ALDH1A1 (0.46) ALDH1A1TSHRFDPSSMPD1CES2
SCHEMBL29196171 0.80 CES2 (0.45) ALDH1A1TSHRCES2
SCHEMBL26979728 0.80 CES2 (0.45) FDPSCES2GGPS1
SCHEMBL10736732 0.80 CES2 (0.45) ALDH1A1TSHRCES2
SCHEMBL16860500 0.80 CES2 (0.45) ALDH1A1TSHRCES2
SCHEMBL26980735 0.80 CES2 (0.45) FDPSCES2GGPS1
SCHEMBL26980125 0.80 CES2 (0.45) FDPSCES2GGPS1
SCHEMBL28467564 0.78 ALDH1A1 (0.46) ALDH1A1TSHR
SCHEMBL28898288 0.77 ALDH1A1 (0.50) ALDH1A1TSHRFDPSSMPD1CES2
SCHEMBL7690546 0.77 ALDH1A1 (0.50) ALDH1A1TSHRFDPSSMPD1CES2

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
EP-0994888-B1 PROCESS FOR THE ACYLATION OF AMINO ALCOHOLS COSMOFERM BV (NL) 2004-02-04 EP disclosed
US-6420604-B1 ACYLATION WITH ORGANIC ACID IN SOLVENT COSMOFERM B.V. (NL) 2002-07-16 US disclosed
EP-1041889-A1 SURFACE-MODIFIED CELLULOSE AS LOW CALORIE FLOUR REPLACEMENTS NABISCO, INC. (US) 2000-10-11 EP disclosed
EP-0994888-A1 PROCESS FOR THE ACYLATION OF AMINO ALCOHOLS DSM N.V. (NL) 2000-04-26 EP disclosed
WO-1999058542-A1 PROCESS FOR THE ACYLATION OF AMINO ALCOHOLS DSM N.V. (NL) 1999-11-18 WO disclosed
US-5906852-A FOODS WITH CELLULOSE SURFACES AND ACYLATED WITH ALIPHATIC ACIDS NABISCO, INC. (US) 1999-05-25 US disclosed
WO-1999022599-A1 SURFACE-MODIFIED CELLULOSE AS LOW CALORIE FLOUR REPLACEMENTS NABISCO, INC. (US) 1999-05-14 WO disclosed