SCHEMBL6403294

SCHEMBL6403294

COC(c1cc(OB(Oc2cc(C(OC)(C(F)(F)F)C(F)(F)F)cc(C(OC)(C(F)(F)F)C(F)(F)F)c2)Oc2cc(C(OC)(C(F)(F)F)C(F)(F)F)cc(C(OC)(C(F)(F)F)C(F)(F)F)c2)cc(C(OC)(C(F)(F)F)C(F)(F)F)c1)(C(F)(F)F)C(F)(F)F

nearest known ligand 0.32

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.32
NR1H3 Q13133 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
SCHEMBL6675245 0.95 IDO1 (0.31) NR1H2NR1H3
SCHEMBL6401770 0.85 NR1H2 (0.31) NR1H2NR1H3
SCHEMBL4359834 0.85 NR1H2 (0.31) NR1H2NR1H3
SCHEMBL23633161 0.84 NR1H2 (0.30) NR1H2NR1H3
Water SCHEMBL6538248 0.84 NR1H2 (0.30) NR1H2NR1H3
SCHEMBL5808191 0.81 NOTUM (0.33)
SCHEMBL14453638 0.77 IDO1 (0.39) NR1H2NR1H3
SCHEMBL1037335 0.76 NR1H2 (0.36) NR1H2NR1H3
SCHEMBL473195 0.74 IDO1 (0.40)
SCHEMBL27554685 0.74 NR1H2 (0.33) NR1H2NR1H3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1454921-B1 RADICAL POLYMERIZATION CATALYSTS AND ADHESIVE KIT FOR DENTAL USE TOKUYAMA CORP (JP) 2021-07-28 EP disclosed
US-20050009946-A1 Radical polymerization catalyst and adhesive kit for dental use TOKUYAMA CORPORATION (JP) 2005-01-13 US disclosed
EP-1454921-A1 RADICAL POLYMERIZATION CATALYSTS AND ADHESIVE KIT FOR DENTAL USE Tokuyama Corporation (JP) 2004-09-08 EP disclosed