SCHEMBL4094910

SCHEMBL4094910

C=C(C)C(=O)OCCCCCCOC(=O)C(=C)C.C=C(C)C(=O)OCCOC(=O)NCCC(C)CC(C)(C)CNC(=O)OCCOC(=O)C(=C)C

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.43
ACHE P22303 13/20 0.40
HRH4 Q9H3N8 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38
POLB P06746 1/20 0.35
APEX1 P27695 1/20 0.35
HTT P42858 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
THRB P10828 1/20 0.35

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
SCHEMBL181998 0.96 THRB (0.37) TSHRACHEHRH4HRH3THRB
SCHEMBL15959227 0.94 TSHR (0.38) TSHRACHEHRH4HRH3POLB
SCHEMBL21547311 0.93 THRB (0.35) TSHRACHEHRH4HRH3THRB
SCHEMBL28572695 0.93 THRB (0.40) TSHRACHEHRH4HRH3THRB
SCHEMBL17075532 0.93 THRB (0.40) TSHRACHEHRH4HRH3THRB
SCHEMBL18558149 0.93 THRB (0.35) TSHRACHEHRH4HRH3THRB
SCHEMBL20460074 0.92 THRB (0.34) TSHRACHEHRH4HRH3THRB
SCHEMBL472550 0.92 ACHE (0.38) TSHRACHEHRH4HRH3THRB
SCHEMBL22663545 0.92 THRB (0.34) TSHRACHEHRH4HRH3THRB
SCHEMBL3132587 0.92 ACHE (0.38) TSHRACHEHRH4HRH3THRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9028254-B2 Dental prosthetics comprising curable acrylate polymer compositions and methods of their use SCIENTIFIC PHARMACEUTICALS, INC. (US) 2015-05-12 US disclosed
US-20130302513-A1 DENTAL PROSTHETICS COMPRISING CURABLE ACRYLATE POLYMER COMPOSITIONS AND METHODS OF THEIR USE SCIENT PHARMACEUTICALS INC (US) 2013-11-14 US disclosed
US-20090239969-A1 DENTAL PROSTHETICS COMPRISING CURABLE ACRYLATE POLYMER COMPOSITIONS AND METHODS OF THEIR USE SCIENTIFIC PHARMACEUTICALS, INC (US) 2009-09-24 US disclosed
US-20060035997-A1 Curable acrylate polymer compositions featuring improved flexural characteristics SCIENTIFIC PHARMACEUTICALS, INC. 2006-02-16 US disclosed