SCHEMBL3140658

SCHEMBL3140658

CCCC(C)P(=O)(O)C(C)CCC

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FDPS P14324 7/20 0.52
METAP1 P53582 2/20 0.48
GABBR2 O75899 1/20 0.41
GABBR1 Q9UBS5 1/20 0.41
LAP3 P28838 2/20 0.38
TSHR P16473 1/20 0.38
CHRM1 P11229 1/20 0.36
AKR1A1 P14550 1/20 0.36
CHRM3 P20309 1/20 0.36
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
ADRA1A P35348 1/20 0.36
HRH1 P35367 1/20 0.36
DRD3 P35462 1/20 0.36
SLC6A3 Q01959 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
TRPM8 Q7Z2W7 2/20 0.36
SMPD1 P17405 2/20 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
SCHEMBL2385904 0.83
SCHEMBL329817 0.80 FDPS (0.59) FDPSLAP3TRPM8SMPD1
SCHEMBL28371605 0.80 FDPS (0.59) FDPSLAP3TRPM8SMPD1
SCHEMBL21611193 0.79
SCHEMBL8730454 0.79
SCHEMBL672807 0.79 FDPS (0.57) FDPSLAP3SMPD1
SCHEMBL672708 0.79 FDPS (0.57) FDPSLAP3TRPM8SMPD1
SCHEMBL640850 0.79 FDPS (0.57) FDPSLAP3TRPM8SMPD1
SCHEMBL156200 0.79 FDPS (0.57) FDPSLAP3TRPM8SMPD1
Bicarbonate SCHEMBL11202276 0.77 FDPS (0.52) FDPSMETAP1GABBR2GABBR1LAP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2206734-A1 Low molecular weight high-cis polybutadienes Bridgestone Corporation (JP) 2010-07-14 EP disclosed
EP-1189983-B1 LOW MOLECULAR WEIGHT HIGH-CIS POLYBUTADIENES BRIDGESTONE CORP (JP) 2010-04-21 EP disclosed
US-6437205-B1 USING NEODYMIUM CARBOXYLATE, ALUMINOXANE, AND TRIALKYL ALUMINUM CATALYST SYSTEM; GOOD WET TRACTION AND ROLLING RESISTANCE; GOOD PHYSICAL PROPERTIES BRIDGESTONE CORPORATION (JP) 2002-08-20 US disclosed
EP-1189983-A2 LOW MOLECULAR WEIGHT HIGH-CIS POLYBUTADIENES Bridgestone Corporation (JP) 2002-03-27 EP disclosed
WO-2000069928-A2 LOW MOLECULAR WEIGHT HIGH-CIS POLYBUTADIENES BRIDGESTONE CORPORATION (JP) 2000-11-23 WO disclosed
US-4078016-A Halogenated aromatic polymer/metal phosphinate polymer flame retardant composition CELANESE CORPORATION (US) 1978-03-07 US disclosed