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SCHEMBL4624075

SCHEMBL4624075

CCC(C)(C)c1ccc([I+]c2ccc(C(C)(C)CC)cc2)cc1.CCC(C)(C)c1ccc([I+]c2ccc(C(C)(C)CC)cc2)cc1.O=S(=O)([O-])Oc1ccc(OS(=O)(=O)[O-])cc1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 2/20 0.44
▸ RAB9A P51151 2/20 0.44
▸ MAPT P10636 1/20 0.44
▸ HRH3 Q9Y5N1 16/20 0.42
▸ MAOB P27338 6/20 0.42
▸ CA1 P00915 1/20 0.39
▸ CA2 P00918 1/20 0.39
▸ CA9 Q16790 1/20 0.39
▸ POLB P06746 1/20 0.38
▸ CYP2C9 P11712 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
SCHEMBL4623638 0.96 CA1 (0.46) NPC1RAB9AMAPTHRH3MAOB
SCHEMBL4623879 0.93 NPC1 (0.41) NPC1RAB9AMAPTHRH3MAOB
Sulfuric Acid SCHEMBL2920577 0.87 NPC1 (0.41) NPC1RAB9AMAPTHRH3MAOB
SCHEMBL4623963 0.84 CA1 (0.56) NPC1RAB9AMAPTCA1CA2
Sulfuric Acid SCHEMBL2920580 0.84 NPC1 (0.39) NPC1RAB9AMAPTHRH3MAOB
SCHEMBL4623961 0.81 HRH3 (0.41) NPC1RAB9AMAPTHRH3MAOB
Sulfuric Acid SCHEMBL4384843 0.80 NPC1 (0.41) NPC1RAB9AMAPTHRH3MAOB
Iodide SCHEMBL5175328 0.80 NPC1 (0.47) NPC1RAB9AMAPTHRH3MAOB
SCHEMBL244418 0.80 NPC1 (0.47) NPC1RAB9AMAPTHRH3MAOB
SCHEMBL5269493 0.79 NPC1 (0.53) NPC1RAB9AMAPTHRH3MAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1344109-B1 ONIUM SALTS AND THE USE THEROF AS LATENT ACIDS CIBA HOLDING INC (CH) 2008-05-07 — — EP disclosed
US-6929896-B2 Onium salts and the use therof as latent acids CIBA SPECIALTY CHEMICALS CORPORATION (US) 2005-08-16 — — US disclosed
US-20040053158-A1 Onium salts and the use therof as latent acids CIBA SPECIALTY CHEMICALS CORP. 2004-03-18 — — US disclosed
EP-1344109-A2 ONIUM SALTS AND THE USE THEROF AS LATENT ACIDS Ciba SC Holding AG (CH) 2003-09-17 — — EP disclosed
WO-2002046507-A2 ONIUM SALTS AND THE USE THEROF AS LATENT ACIDS CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2002-06-13 — — WO disclosed