SCHEMBL5068520

SCHEMBL5068520

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

nearest known ligand 0.37

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.37
THRB P10828 1/20 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
SCHEMBL30497904 0.99 TSHR (0.36) TSHRTHRB
SCHEMBL5070638 0.95 TSHR (0.39) TSHRTHRB
SCHEMBL30497903 0.93 TSHR (0.39) TSHRTHRB
SCHEMBL5692365 0.93 TSHR (0.42) TSHRTHRB
SCHEMBL517397 0.93 TSHR (0.42) TSHRTHRB
SCHEMBL711930 0.93 TSHR (0.42) TSHRTHRB
SCHEMBL5068522 0.91 TSHR (0.37) TSHRTHRB
SCHEMBL1321681 0.88 TSHR (0.41) TSHR
SCHEMBL195549 0.87 TSHR (0.45) TSHRTHRB
SCHEMBL711199 0.87 THRB (0.41) TSHRTHRB

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-1928979-A1 FUNCTIONALIZED PHOTOREACTIVE COMPOUNDS Rolic AG (CH) 2008-06-11 EP disclosed
WO-2007033506-A1 FUNCTIONALIZED PHOTOREACTIVE COMPOUNDS ROLIC AG (CH) 2007-03-29 WO disclosed