SCHEMBL1802001

SCHEMBL1802001

CCCCCC(O)OC(CCCCC)OC(=O)O

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 7/20 0.44
FFAR1 O14842 2/20 0.44
SMPD1 P17405 3/20 0.41
FFAR4 Q5NUL3 1/20 0.41
MAPT P10636 1/20 0.39
LCK P06239 1/20 0.39
PPARD Q03181 1/20 0.39
ZDHHC20 Q5W0Z9 1/20 0.39
ZDHHC2 Q9UIJ5 1/20 0.39
ACE2 Q9BYF1 1/20 0.37
CA1 P00915 1/20 0.36
NFKB1 P19838 1/20 0.36

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
SCHEMBL27584516 0.85 SMPD1 (0.48) GPR84FFAR1SMPD1FFAR4MAPT
SCHEMBL154436 0.83 GPR84 (0.52) GPR84FFAR1FFAR4MAPTLCK
SCHEMBL28326424 0.83 GPR84 (0.52) GPR84FFAR1SMPD1FFAR4MAPT
SCHEMBL28594096 0.82 SMPD1 (0.45) GPR84FFAR1SMPD1FFAR4MAPT
SCHEMBL31491249 0.81 GPR84 (0.55) GPR84FFAR1FFAR4MAPTLCK
SCHEMBL31491247 0.81 GPR84 (0.55) GPR84FFAR1FFAR4MAPTLCK
Water SCHEMBL1802000 0.81 GPR84 (0.50) GPR84FFAR1FFAR4MAPTLCK
SCHEMBL5414249 0.81 GPR84 (0.55) GPR84FFAR1FFAR4MAPTLCK
SCHEMBL9445345 0.77 CA2 (0.45) GPR84FFAR1FFAR4MAPTLCK
SCHEMBL1798860 0.76 GPR84 (0.50) GPR84FFAR1SMPD1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7951896-B2 Process for the production of NCO prepolymers that are stable to sedimentation, and their use BAYER MATERIALSCIENCE AG (DE) 2011-05-31 US disclosed
US-20070010643-A1 Process for the production of NCO prepolymers that are stable to sedimentation, and their use BAYER MATERIALSCIENCE AG 2007-01-11 US disclosed
CN-1721461-A Preparation of clear isocyanate prepolymer based on hexanediol ether carbonate BAYER MATERIALSCIENCE AG (DE) 2006-01-18 CN disclosed
CN-1721461-A Preparation of clear isocyanate prepolymer based on hexanediol ether carbonate BAYER MATERIALSCIENCE AG (DE) 2006-01-18 CN disclosed
EP-1614702-A1 Preparation of clear isocyanate prepolymers based on hexanediol ether carbonate Bayer MaterialScience AG (DE) 2006-01-11 EP disclosed
US-20060004172-A1 Preparation of clear isocyanate prepolymers based on hexanediolether carbonate BAYER MATERIALSCIENCE AG 2006-01-05 US disclosed
US-20060004172-A1 Preparation of clear isocyanate prepolymers based on hexanediolether carbonate BAYER MATERIALSCIENCE AG 2006-01-05 US disclosed
US-20060004172-A1 Preparation of clear isocyanate prepolymers based on hexanediolether carbonate BAYER MATERIALSCIENCE AG 2006-01-05 US disclosed