Sugi Predict

Sugi Predict / Compounds / SCHEMBL8930710

SCHEMBL8930710

SCHEMBL8930710

CC1(C)Oc2cc3c(c([C](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 0.41

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.30

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
SCHEMBL8930763 0.88 — —
SCHEMBL8930707 0.84 TSHR (0.52) TSHRALDH1A1
SCHEMBL8930708 0.78 TSHR (0.38) TSHR
SCHEMBL8930792 0.78 TSHR (0.38) TSHR
SCHEMBL8930639 0.77 TSHR (0.41) TSHR
SCHEMBL8930753 0.75 — —
SCHEMBL7519849 0.72 TSHR (0.50) TSHRALDH1A1
SCHEMBL7514564 0.68 TSHR (0.45) TSHRALDH1A1
SCHEMBL8046387 0.68 TSHR (0.37) TSHR
SCHEMBL8538769 0.67 — —

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