SCHEMBL3884348

SCHEMBL3884348

CC=CC(=O)OCCC(C[N+](C)(C)C)OP(=O)(O)O

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SMPD1 P17405 3/20 0.30
ATM Q13315 1/20 0.30
GSTP1 P09211 1/20 0.30

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
SCHEMBL3883028 1.00 SMPD1 (0.30) SMPD1ATMGSTP1
SCHEMBL7060705 0.84 TSHR (0.39)
SCHEMBL176508 0.76 THRB (0.38)
SCHEMBL5699819 0.76 FABP3 (0.41)
SCHEMBL20563801 0.75 SMPD1 (0.39) SMPD1ATMGSTP1
SCHEMBL1260408 0.74 TSHR (0.37)
SCHEMBL2321002 0.74 SMPD1 (0.30) SMPD1
SCHEMBL20505229 0.73 LPAR3 (0.31) ATMGSTP1
Phosphoric Acid SCHEMBL8763242 0.73 MAPT (0.35) GSTP1
Methacrylic Acid SCHEMBL3884365 0.73 SMN1; SMN2 (0.36)

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
EP-1245636-B1 COMPOSITION FOR HYDROGEL, HYDROGEL, AND USE THEREOF NOF CORP (JP) 2009-01-14 EP disclosed
US-6858673-B1 Composition for hydrogel, hydrogel and use thereof NOF CORPORATION (JP) 2005-02-22 US disclosed
EP-0823458-B1 POLYMERIC MATERIAL, MEDICAL MATERIAL AND LIQUID POLYMER COMPOSITION NOF CORP (JP) 2003-05-14 EP disclosed
US-6503632-B1 Siloxane polymers typified by polydimethylsiloxane have excellent biocompatibility, gas permeability, etc. alkylamide groups impart strength; medical equipment NOF CORPORATION (JP) 2003-01-07 US disclosed
EP-1245636-A1 COMPOSITION FOR HYDROGEL, HYDROGEL, AND USE THEREOF NOF CORPORATION (JP) 2002-10-02 EP disclosed
EP-1116740-A1 POLYDIALKYLSILOXANE / POLYAMIDE COPOLYMER, PROCESS FOR PRODUCING THE SAME, AND VARIOUS MATERIALS NOF CORPORATION (JP) 2001-07-18 EP disclosed
US-5977257-A Polymer material, medical material and liquid high molecular composition NOF CORPORATION (JP) 1999-11-02 US disclosed
EP-0823458-A1 POLYMERIC MATERIAL, MEDICAL MATERIAL AND LIQUID POLYMER COMPOSITION NOF CORPORATION (JP) 1998-02-11 EP disclosed