SCHEMBL8930708

SCHEMBL8930708

CC1(C)Oc2cc3c(c(C(O)(c4c5c(c(C=O)c6c4OC(C)(C)O6)OC(C)(C)O5)c4c5c(c(C=O)c6c4OC(C)(C)O6)OC(C)(C)O5)c2O1)OC(C)(C)O3

nearest known ligand 0.38

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.38

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
SCHEMBL8930792 1.00 TSHR (0.38) TSHR
SCHEMBL8538769 0.89
SCHEMBL8930663 0.85 TSHR (0.52) TSHR
SCHEMBL8930707 0.82 TSHR (0.52) TSHR
SCHEMBL8930710 0.78 TSHR (0.41) TSHR
SCHEMBL9275343 0.75
SCHEMBL8930639 0.75 TSHR (0.41) TSHR
SCHEMBL9276707 0.75
SCHEMBL8930702 0.72
SCHEMBL9274886 0.70

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5599522-A CONTRAST ENHANCING AGENTS NYCOMED IMAGING AS (NO) 1997-02-04 US disclosed
EP-0515458-B1 TRIARYLMETHYL RADICALS AND THE USE OF INERT CARBON FREE RADICALS IN MRI NYCOMED INNOVATION AB (SE) 1995-08-23 EP disclosed
EP-0515458-A1 TRIARYLMETHYL RADICALS AND THE USE OF INERT CARBON FREE RADICALS IN MRI. HAFSLUND NYCOMED INNOVATION (SE) 1992-12-02 EP disclosed
WO-1991012024-A1 TRIARYLMETHYL RADICALS AND THE USE OF INERT CARBON FREE RADICALS IN MRI HAFSLUND NYCOMED INNOVATION AB (SE) 1991-08-22 WO disclosed