SCHEMBL5586309

SCHEMBL5586309

C=C(C)C(=O)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CC

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.33
THRB P10828 1/20 0.33
TSHR P16473 3/20 0.33

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
SCHEMBL2784839 1.00 ALDH1A1 (0.33) ALDH1A1THRBTSHR
SCHEMBL15921862 1.00 ALDH1A1 (0.33) ALDH1A1THRBTSHR
SCHEMBL8659592 1.00 ALDH1A1 (0.33) ALDH1A1THRBTSHR
SCHEMBL9317622 0.93 ALDH1A1 (0.35) ALDH1A1THRBTSHR
SCHEMBL4603430 0.87 ALDH1A1 (0.42) ALDH1A1THRBTSHR
SCHEMBL8851983 0.87 TSHR (0.34) ALDH1A1THRBTSHR
SCHEMBL9796413 0.86 ALDH1A1 (0.33) ALDH1A1THRBTSHR
SCHEMBL8165330 0.86 ALDH1A1 (0.33) ALDH1A1THRBTSHR
SCHEMBL1717867 0.86 ALDH1A1 (0.33) ALDH1A1THRBTSHR
SCHEMBL9179678 0.86 ALDH1A1 (0.33) ALDH1A1THRBTSHR

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-1787623-B1 Dental polymerizable composition KURARAY NORITAKE DENTAL INC (JP) 2014-03-26 EP disclosed
EP-1787623-A1 DENTAL POLYMERIZABLE COMPOSITION Kuraray Medical Inc. (JP) 2007-05-23 EP disclosed