SCHEMBL19418274

SCHEMBL19418274

C=C(C)C(=O)NCC(CNC(=O)C(=C)C)OCCCCCC(OP(=O)(O)O)P(O)O

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TLR2 O60603 6/20 0.33
LPAR1 Q92633 2/20 0.32
LPAR3 Q9UBY5 2/20 0.32
SMPD1 P17405 3/20 0.31

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
SCHEMBL19420906 0.84 TLR2 (0.34) TLR2LPAR1LPAR3SMPD1
SCHEMBL20247765 0.83 SMPD1 (0.35) LPAR3SMPD1
SCHEMBL19417963 0.81 LPAR1 (0.37) LPAR1LPAR3SMPD1
SCHEMBL20247642 0.79 EPHX1 (0.33) SMPD1
SCHEMBL19418310 0.78 PTPN1 (0.36) LPAR1LPAR3SMPD1
SCHEMBL19418243 0.77 TSHR (0.49) SMPD1
SCHEMBL19417973 0.77 TSHR (0.49) SMPD1
SCHEMBL632263 0.74 TGFBR1 (0.33) SMPD1
SCHEMBL19418271 0.73 TLR2 (0.38) TLR2
SCHEMBL15032907 0.69 TLR2 (0.40) TLR2LPAR1LPAR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3225228-B1 ACIDIC HYBRID MONOMERS AND DENTAL MATERIALS BASED THEREON IVOCLAR VIVADENT AG (LI) 2018-06-13 EP disclosed
EP-3225228-A1 ACIDIC HYBRID MONOMERS AND DENTAL MATERIALS BASED THEREON Ivoclar Vivadent AG (LI) 2017-10-04 EP disclosed