SCHEMBL8046387

SCHEMBL8046387

CC1(C)Oc2cc3c(c([C](c4c5c(cc6c4SC(C)(C)S6)SC(C)(C)S5)c4c5c(cc6c4SC(C)(C)S6)SC(C)(C)S5)c2O1)OC(C)(C)O3

nearest known ligand 0.37

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.37

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
SCHEMBL7523102 0.77 TSHR (0.35) TSHR
SCHEMBL8050476 0.77 TSHR (0.35) TSHR
SCHEMBL8930700 0.67 TSHR (0.52) TSHR
SCHEMBL7519849 0.65 TSHR (0.50) TSHR
SCHEMBL7521891 0.62 HPGD (0.36) TSHR
SCHEMBL7514564 0.62 TSHR (0.45) TSHR
SCHEMBL9719308 0.61 TSHR (0.62) TSHR
SCHEMBL8930662 0.60 TSHR (0.59) TSHR
SCHEMBL7519328 0.60 TSHR (1.00) TSHR
SCHEMBL7519280 0.60

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0832054-B1 HETEROCYCLIC METHYL FREE RADICALS AS IMAGE ENHANCING AGENTS NYCOMED IMAGING AS (NO) 2000-12-27 EP disclosed
US-6063360-A USEFUL AS CONTRAST AGENT FOR OVERHAUSER MAGNETIC RESONACE IMAGING NYCOMED IMAGING A/S (NO) 2000-05-16 US disclosed
WO-1996039367-A1 HETEROCYCLIC METHYL FREE RADICALS AS IMAGE ENHANCING AGENTS NYCOMED IMAGING A/S (NO) 1996-12-12 WO disclosed