SCHEMBL2837030

SCHEMBL2837030

C=C(C)C(=O)NOP(=O)(O)OP(=O)(O)O

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
BTN3A1 O00481 3/20 0.42
TDP1 Q9NUW8 2/20 0.33
MVD P53602 2/20 0.33
FDPS P14324 1/20 0.33
BLM P54132 1/20 0.33
FNTA P49354 1/20 0.33
FNTB P49356 1/20 0.33
ALDH1A1 P00352 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
SCHEMBL2836920 0.84 ALDH1A1 (0.37) BTN3A1TDP1ALDH1A1
SCHEMBL28115064 0.82 ALDH1A1 (0.38) TDP1ALDH1A1
SCHEMBL31419774 0.79 BTN3A1 (0.39) BTN3A1TDP1MVDFDPSBLM
SCHEMBL28963629 0.78 PPARD (0.33) BTN3A1TDP1FNTAFNTBALDH1A1
SCHEMBL25279685 0.78 ALDH1A1 (0.36) TDP1ALDH1A1
SCHEMBL27906097 0.75 BTN3A1 (0.38) BTN3A1MVD
SCHEMBL8018744 0.75 BTN3A1 (0.38) BTN3A1MVD
SCHEMBL25232258 0.73 ALDH1A1 (0.32) TDP1ALDH1A1
SCHEMBL4147806 0.73 FDPS (0.41) BTN3A1TDP1MVDFDPSBLM
Triphosphate SCHEMBL17255887 0.73 BTN3A1 (0.48) BTN3A1TDP1MVDFDPSBLM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9901519-B2 Infiltrant for dental ceramics MUHLBAUER TECHNOLOGY GMBH (DE) 2018-02-27 US disclosed
US-20160128908-A1 INFILTRANT FOR DENTAL CERAMICS MUHLBAUER TECHNOLOGY GMBH (DE) 2016-05-12 US disclosed
US-20160081885-A1 POLYMERIZABLE DENTAL MATERIAL MUHLBAUER TECHNOLOGY GMBH (DE) 2016-03-24 US disclosed
US-9211236-B2 Infiltrant for dental application MUHLBAUER GMBH & CO. KG (DE) 2015-12-15 US disclosed
US-20130116384-A1 INFILTRANT FOR DENTAL APPLICATION ERNST MUHLBAUER GMBH & CO. KG (DE) 2013-05-09 US disclosed
US-8362172-B2 Infiltrant for dental application ERNST MUHLBAUER GMBH & CO. KG (DE) 2013-01-29 US disclosed
US-20100240853-A1 INFILTRANT FOR DENTAL APPLICATION ERNST MÜHLBAUER GMBH & CO. KG (DE) 2010-09-23 US disclosed