SCHEMBL6891450

SCHEMBL6891450

O=C(O)C(S)CCCCO

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RNPEP Q9H4A4 3/20 0.64
FOLH1 Q04609 3/20 0.52
GPR84 Q9NQS5 2/20 0.39
FFAR1 O14842 1/20 0.39
FFAR4 Q5NUL3 1/20 0.39
CAMK2A Q9UQM7 1/20 0.36
PTPN1 P18031 1/20 0.35
TDP1 Q9NUW8 3/20 0.35
HPGD P15428 2/20 0.35
HSD17B10 Q99714 2/20 0.35
ABCB11 O95342 1/20 0.35
F2 P00734 1/20 0.35
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
ALOX15 P16050 1/20 0.35
KMT2A Q03164 1/20 0.35
DUSP3 P51452 1/20 0.35
PTPN5 P54829 1/20 0.35

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
SCHEMBL768465 0.98 RNPEP (0.61) RNPEPFOLH1GPR84FFAR1FFAR4
SCHEMBL11159608 0.89 RNPEP (0.76) RNPEPFOLH1GPR84FFAR1TDP1
SCHEMBL11161171 0.87 RNPEP (0.73) RNPEPFOLH1GPR84FFAR1TDP1
SCHEMBL11163066 0.87 RNPEP (0.73) RNPEPFOLH1GPR84FFAR1TDP1
SCHEMBL5476409 0.84 RNPEP (0.68) RNPEPFOLH1TDP1HPGDHSD17B10
SCHEMBL902699 0.81
SCHEMBL13057108 0.80 RNPEP (0.64) RNPEPFOLH1TDP1HPGDHSD17B10
1,4-Butanediol SCHEMBL2969662 0.78 GPR84 (0.46) RNPEPFOLH1GPR84FFAR1FFAR4
SCHEMBL5669221 0.78 RNPEP (0.61) RNPEPFOLH1GPR84FFAR1MAPT
SCHEMBL574596 0.78 RNPEP (0.61) RNPEPFOLH1GPR84FFAR1MAPT

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-0866090-B1 Improved PVC foam compositions MORTON INT INC (US) 2004-04-21 EP disclosed
EP-1309739-A1 PROCESS FOR THE PRODUCTION OF 2-HYDROXY-4-METHYLMERCAPTOBUTYRIC ACID Degussa AG (DE) 2003-05-14 EP disclosed
WO-2002016671-A1 PROCESS FOR THE PRODUCTION OF 2-HYDROXY-4-METHYLMERCAPTOBUTYRIC ACID DEGUSSA AG (DE) 2002-02-28 WO disclosed
US-5866625-A DENSITY REDUCED BY THE USE OF AN ORGANOTIN HALIDE IN COMBINATION WITH A MERCAPTOCARBOXYLIC ACID ESTER OR A SULFIDE OF SUCH ESTER MORTON INTERNATIONAL, INC. (US) 1999-02-02 US disclosed
EP-0866090-A1 Improved PVC foam compositions MORTON INTERNATIONAL, INC. (US) 1998-09-23 EP disclosed
US-5783613-A ORGANOTIN COMPOUNDS AS ACTIVATOR FOR BLOWING AGENT MORTON INTERNATIONAL, INC. (US) 1998-07-21 US disclosed
US-5710188-A HEATING A MIXTURE OF POLYVINYL CHLORIDE, A BLOWING AGENT, AN ORGANOTIN HALIDE AND A STABILIZER TO FOAM POLYMER MORTON INTERNATIONAL, INC. (US) 1998-01-20 US disclosed