SCHEMBL9821068

SCHEMBL9821068

C=C(C)C(=O)OCC(F)(F)C(F)F.C=C(C)C(=O)OCC(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.43
HTT P42858 1/20 0.41
THRB P10828 1/20 0.37
POLB P06746 1/20 0.37
GAA P10253 1/20 0.37
ALDH1A1 P00352 5/20 0.36
LMNA P02545 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
MAPK1 P28482 1/20 0.36

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
SCHEMBL227643 0.95 TSHR (0.47) TSHRTHRBPOLBGAAALDH1A1
Methacrylic Acid SCHEMBL28209124 0.90 TSHR (0.43) TSHRTHRBPOLBGAAALDH1A1
SCHEMBL28031899 0.87 TSHR (0.48) TSHRHTTTHRBPOLBALDH1A1
SCHEMBL36595 0.87 TSHR (0.48) TSHRHTTTHRBPOLBALDH1A1
SCHEMBL9820817 0.87 TSHR (0.41) TSHRTHRBPOLBGAAALDH1A1
Fluoride SCHEMBL28255897 0.85 TSHR (0.47) TSHRHTTTHRBPOLBALDH1A1
SCHEMBL9242879 0.84 ALDH1A1 (0.41) TSHRTHRBPOLBGAAALDH1A1
Acetic Acid SCHEMBL28980670 0.83 TSHR (0.45) TSHRHTTTHRBPOLBALDH1A1
SCHEMBL5967824 0.82 TSHR (0.35) TSHRHTTTHRB
SCHEMBL11691380 0.82 TSHR (0.50) TSHRHTTTHRBPOLBGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0201246-B1 LIGHT TRANSMITTING FIBER MITSUBISHI RAYON CO., LTD. (JP) 1991-03-20 EP claimed