SCHEMBL5744786

SCHEMBL5744786

C=C(C)C(=O)OCCCCCCCCOP(=O)(OCCCCCCCCOC(=O)C(=C)C)OP(=O)(O)O

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.56
POLB P06746 1/20 0.43
APEX1 P27695 1/20 0.43
HTT P42858 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
THRB P10828 1/20 0.41
LPAR3 Q9UBY5 7/20 0.40
LPAR2 Q9HBW0 6/20 0.40
LPAR1 Q92633 4/20 0.40
BTN3A1 O00481 1/20 0.39
ALDH1A1 P00352 1/20 0.36
CYP3A4 P08684 1/20 0.32

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
SCHEMBL23002887 1.00 TSHR (0.56) TSHRPOLBAPEX1HTTTDP1
SCHEMBL15302389 1.00 TSHR (0.56) TSHRPOLBAPEX1HTTTDP1
SCHEMBL5746182 1.00 TSHR (0.56) TSHRPOLBAPEX1HTTTDP1
SCHEMBL6861002 0.98 TSHR (0.53) TSHRPOLBAPEX1HTTTDP1
SCHEMBL15709964 0.95 TSHR (0.49) TSHRPOLBAPEX1HTTTDP1
SCHEMBL345559 0.89 THRB (0.49) TSHRPOLBAPEX1HTTTDP1
SCHEMBL180279 0.89 TSHR (0.65) TSHRPOLBAPEX1HTTTDP1
SCHEMBL3195852 0.89 TSHR (0.65) TSHRPOLBAPEX1HTTTDP1
SCHEMBL5958661 0.89 TSHR (0.65) TSHRPOLBAPEX1HTTTDP1
SCHEMBL5958668 0.89 TSHR (0.65) TSHRPOLBAPEX1HTTTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1695685-B2 ONE-PART DENTAL ADHESIVE COMPOSITION KURARAY NORITAKE DENTAL INC (JP) 2016-12-28 EP disclosed
US-8932060-B2 Dental treatment method KURARAY NORITAKE DENTAL INC. (JP) 2015-01-13 US disclosed
US-20130266915-A1 DENTAL TREATMENT METHOD KURARAY NORITAKE DENTAL INC. (JP) 2013-10-10 US disclosed
EP-1695685-B1 ONE-PART DENTAL ADHESIVE COMPOSITION KURARAY NORITAKE DENTAL INC (JP) 2012-11-07 EP disclosed
EP-1695685-A1 ONE-PACK TYPE ADHESIVE COMPOSITION FOR DENTAL USE Kuraray Medical Inc. (JP) 2006-08-30 EP disclosed