SCHEMBL8399317

SCHEMBL8399317

C=C(O)C(=O)OCCC(F)(F)F

nearest known ligand 0.34

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SLC13A3 Q8WWT9 1/20 0.34
THRB P10828 1/20 0.31
HTT P42858 1/20 0.31
TSHR P16473 2/20 0.31

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
SCHEMBL8519526 0.96 SLC13A3 (0.33) SLC13A3
SCHEMBL8399751 0.83 MEN1 (0.31)
SCHEMBL8518828 0.83 THRB (0.46) SLC13A3THRBHTTTSHR
SCHEMBL615661 0.81 THRB (0.52) SLC13A3THRBHTTTSHR
SCHEMBL11386470 0.81 SLC13A3 (0.36) SLC13A3THRBHTT
SCHEMBL8660529 0.80 TET2 (0.32)
SCHEMBL8399675 0.77 HTT (0.48) HTTTSHR
SCHEMBL608123 0.77 SLC13A3 (0.38) SLC13A3HTT
SCHEMBL449860 0.76 ALDH1A1 (0.53) SLC13A3TSHR
SCHEMBL124874 0.76 SLC13A3 (0.35) SLC13A3THRBHTTTSHR

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
US-5973094-A Functional polymers WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 1999-10-26 US disclosed
EP-0794199-A2 Novel functional polymers WAKO PURE CHEMICAL INDUSTRIES, LTD (JP) 1997-09-10 EP disclosed