SCHEMBL5074174

SCHEMBL5074174

[CH2]CCCCCCCCCCCCCCCS(=O)(=O)CCCCCCCC

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA2 P00918 7/20 0.56
FAAH O00519 5/20 0.50
CES1 P23141 5/20 0.46
CES2 O00748 2/20 0.46
CA1 P00915 5/20 0.40
CA9 Q16790 5/20 0.40
ESR1 P03372 1/20 0.40
ESR2 Q92731 1/20 0.40
CA12 O43570 1/20 0.40
CA3 P07451 1/20 0.40
CA4 P22748 1/20 0.40
CA6 P23280 1/20 0.40
CA5A P35218 1/20 0.40
CA7 P43166 1/20 0.40
CA14 Q9ULX7 1/20 0.40
CA5B Q9Y2D0 1/20 0.40

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
SCHEMBL5076177 1.00 CA2 (0.56) CA2FAAHCES1CES2CA1
SCHEMBL2515964 0.98 CA2 (0.52) CA2FAAHCES1CES2CA1
SCHEMBL7858048 0.95 CA2 (0.50) CA2FAAHCES1CES2CA1
SCHEMBL2047865 0.93 CA2 (0.52) CA2FAAHCES1CES2CA1
SCHEMBL10587432 0.91 CA2 (0.56) CA2FAAHCES1CES2ESR1
SCHEMBL8957646 0.91 CA2 (0.56) CA2FAAHCES1CES2ESR1
SCHEMBL5387890 0.91 CA2 (0.56) CA2FAAHCES1CES2ESR1
SCHEMBL3033925 0.91 CA2 (0.45) CA2FAAHCES1CES2ESR1
SCHEMBL5667637 0.88 CA2 (0.52) CA2FAAHCES1CES2ESR1
SCHEMBL8778750 0.87 CA2 (0.68) CA2FAAHCES1CES2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1697465-B1 POLYMER NANOCOMPOSITES AND METHODS FOR THEIR PREPARATION GEN ELECTRIC (US) 2008-02-13 EP disclosed
EP-1697465-A2 POLYMER NANOCOMPOSITES AND METHODS FOR THEIR PREPARATION GENERAL ELECTRIC COMPANY (US) 2006-09-06 EP disclosed
WO-2005061623-A2 POLYMER NANOCOMPOSITES AND METHODS FOR THEIR PREPARATION GENERAL ELECTRIC COMPANY (US) 2005-07-07 WO disclosed
US-20050137310-A1 Polymer nanocomposites and methods for their preparation CITIBANK, N.A., AS COLLATERAL AGENT 2005-06-23 US disclosed
US-5747560-A AMMONIUM SALTS ALLIEDSIGNAL INC. (US) 1998-05-05 US disclosed
EP-0598836-B1 MELT PROCESS FORMATION OF POLYMER NANOCOMPOSITE OF EXFOLIATED LAYERED MATERIAL ALLIED SIGNAL INC (US) 1997-10-15 EP disclosed
EP-0668888-A1 NANOCOMPOSITES OF GAMMA PHASE POLYMERS AlliedSignal Inc. (US) 1995-08-30 EP disclosed
US-5385776-A Polylactams ALLIEDSIGNAL INC. 1995-01-31 US disclosed
EP-0598836-A1 MELT PROCESS FORMATION OF POLYMER NANOCOMPOSITE OF EXFOLIATED LAYERED MATERIAL. ALLIED SIGNAL INC (US) 1994-06-01 EP disclosed
WO-1994011430-A1 NANOCOMPOSITES OF GAMMA PHASE POLYMERS ALLIED-SIGNAL INC. (US) 1994-05-26 WO disclosed
WO-1993004118-A1 MELT PROCESS FORMATION OF POLYMER NANOCOMPOSITE OF EXFOLIATED LAYERED MATERIAL ALLIED-SIGNAL INC. (US) 1993-03-04 WO disclosed
WO-1993004117-A1 MELT PROCESS FORMATION OF POLYMER NANOCOMPOSITE OF EXFOLIATED LAYERED MATERIAL ALLIED-SIGNAL INC. (US) 1993-03-04 WO disclosed