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SCHEMBL7757793

SCHEMBL7757793

C[SiH](C)OC(CN(CC(O[SiH](C)C)C(C)(C)C)S(=O)(=O)c1ccc([Bi](c2ccc(S(=O)(=O)N(CC(O[SiH](C)C)C(C)(C)C)CC(O[SiH](C)C)C(C)(C)C)cc2S(=O)(=O)N(CC(O[SiH](C)C)C(C)(C)C)CC(O[SiH](C)C)C(C)(C)C)c2ccc(S(=O)(=O)N(CC(O[SiH](C)C)C(C)(C)C)CC(O[SiH](C)C)C(C)(C)C)cc2S(=O)(=O)N(CC(O[SiH](C)C)C(C)(C)C)CC(O[SiH](C)C)C(C)(C)C)c(S(=O)(=O)N(CC(O[SiH](C)C)C(C)(C)C)CC(O[SiH](C)C)C(C)(C)C)c1)C(C)(C)C

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ TAS2R14 Q9NYV8 1/20 0.33
▸ POLB P06746 1/20 0.30
▸ ALDH1A1 P00352 2/20 0.30
▸ SPPL2A Q8TCT8 1/20 0.30
▸ MAPT P10636 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
SCHEMBL8571750 0.84 TAS2R14 (0.34) TAS2R14POLBALDH1A1SPPL2AMAPT
SCHEMBL7758285 0.68 SMN1; SMN2 (0.53) POLBALDH1A1MAPT
SCHEMBL7757769 0.68 VCAM1 (0.36) POLBALDH1A1MAPT
SCHEMBL1533710 0.58 CYP24A1 (0.39) ALDH1A1
SCHEMBL7969044 0.57 POLB (0.37) POLBALDH1A1
SCHEMBL1748646 0.55 — —
SCHEMBL4188563 0.55 KDM4E (0.32) ALDH1A1
SCHEMBL11137915 0.54 POLB (0.56) POLBALDH1A1MAPT
SCHEMBL11151096 0.54 ALDH1A1 (0.67) ALDH1A1MAPT
SCHEMBL7759472 0.54 HTT (0.49) POLBALDH1A1

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-5730953-A RADIOGRAPHIC CONTRAST MEDIUM NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 1998-03-24 — — US claimed
EP-0716091-B1 TRIS(SUBSTITUTED PHENYL)BISMUTH DERIVATIVE NISSAN CHEMICAL IND LTD (JP) 2001-03-21 — — EP disclosed
US-5730953-A RADIOGRAPHIC CONTRAST MEDIUM NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 1998-03-24 — — US disclosed
EP-0716091-A1 TRIS(SUBSTITUTED PHENYL)BISMUTH DERIVATIVE NISSAN CHEMICAL INDUSTRIES, LIMITED (JP) 1996-06-12 — — EP disclosed