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SCHEMBL8930681

SCHEMBL8930681

CCN(CC)C(=O)c1c2c(c(C(c3c4c(c(C(=O)N(CC)CC)c5c3OC(C)(C)O5)OC(C)(C)O4)c3c4c(c(C(=O)N(CC)CC)c5c3OC(C)(C)O5)OC(C)(C)O4)c3c1OC(C)(C)O3)OC(C)(C)O2

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ HTT P42858 1/20 0.31
▸ HSP90AA1 P07900 1/20 0.30
▸ HSP90AB1 P08238 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
SCHEMBL8930729 0.90 TSHR (0.33) TSHRALDH1A1LMNAHTTHSP90AA1
SCHEMBL8930666 0.85 TSHR (0.36) TSHRALDH1A1LMNAHTTHSP90AA1
SCHEMBL8930717 0.74 ALDH1A1 (0.39) ALDH1A1LMNA
Tromethamine SCHEMBL9719398 0.74 TSHR (0.35) TSHRALDH1A1LMNA
SCHEMBL8930638 0.65 — —
SCHEMBL8930696 0.65 — —
SCHEMBL15221194 0.59 RAB9A (0.42) TSHRALDH1A1LMNAHTTHSP90AA1
SCHEMBL27583225 0.56 GAA (0.44) TSHRALDH1A1LMNAHTT
SCHEMBL3631286 0.55 OPRM1 (0.55) TSHRALDH1A1LMNA
SCHEMBL1003369 0.55 HPGD (0.69) TSHRALDH1A1LMNAHSP90AA1HSP90AB1

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