SCHEMBL4084176

SCHEMBL4084176

C=C(C)C(=O)OCCOC(=O)CCCCCOC(=O)NCCCCCCCCCCCCCCCCCC

nearest known ligand 0.60

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.60
ACHE P22303 13/20 0.56
EPHX2 P34913 2/20 0.54
DGKA P23743 1/20 0.53

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
SCHEMBL12938681 0.94 TSHR (0.61) TSHRACHEEPHX2DGKA
SCHEMBL13572560 0.91 TSHR (0.57) TSHRACHEEPHX2DGKA
SCHEMBL12938679 0.90 TSHR (0.50) TSHRACHEEPHX2DGKA
SCHEMBL18094634 0.89 TSHR (0.65) TSHRACHEEPHX2
SCHEMBL18094781 0.89 TSHR (0.65) TSHRACHEEPHX2
SCHEMBL13032957 0.89 TSHR (0.65) TSHRACHEEPHX2
SCHEMBL18094783 0.89 TSHR (0.65) TSHRACHEEPHX2
SCHEMBL18094652 0.89 TSHR (0.65) TSHRACHEEPHX2
SCHEMBL12938677 0.88 TSHR (0.47) TSHRACHEDGKA
SCHEMBL12938688 0.88 TSHR (0.47) TSHRACHEDGKA

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-2227195-B1 METHODS AND KITS FOR MAKING FLEXIBLE DENTAL GUARDS DENTSPLY INT INC (US) 2014-08-27 EP disclosed
US-20090130624-A1 Methods and kits for making flexible dental guards SUN BENJAMIN JIEMIN 2009-05-21 US disclosed