SCHEMBL3369709

SCHEMBL3369709

C[CH]C(C)(C)COC

nearest known ligand 0.00

⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.

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
SCHEMBL7990154 0.77
SCHEMBL12451953 0.73
SCHEMBL207064 0.73
SCHEMBL1515439 0.69
SCHEMBL11027442 0.67
SCHEMBL11027444 0.67
SCHEMBL6873614 0.67
SCHEMBL1276314 0.65
SCHEMBL937165 0.65 ALDH1A1 (0.33)
SCHEMBL90415 0.65

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1994011-B1 SULFONYL BENZIMIDAZOLE DERIVATIVES RAQUALIA PHARMA INC (JP) 2010-10-13 EP disclosed
US-7700618-B2 Sulfonyl benzimidazole derivatives PFIZER INC (US) 2010-04-20 US disclosed
US-7598393-B2 Sulfonyl benzimidazole derivatives PFIZER INC. (US) 2009-10-06 US disclosed
US-20090137584-A1 SULFONYL BENZIMIDAZOLE DERIVATIVES RAQUALIA PHARMA INC. (JP) 2009-05-28 US disclosed
EP-1809607-B1 SULFONYL BENZIMIDAZOLE DERIVATIVES PFIZER (US) 2008-12-17 EP disclosed
EP-1994011-A1 SULFONYL BENZIMIDAZOLE DERIVATIVES Pfizer, Inc. (US) 2008-11-26 EP disclosed
WO-2007102059-A1 SULFONYL BENZIMIDAZOLE DERIVATIVES PFIZER JAPAN INC. (JP) 2007-09-13 WO disclosed
EP-1809607-A1 SULFONYL BENZIMIDAZOLE DERIVATIVES Pfizer, Inc. (US) 2007-07-25 EP disclosed
WO-2006048754-A1 SULFONYL BENZIMIDAZOLE DERIVATIVES PFIZER JAPAN INC. (JP) 2006-05-11 WO disclosed
US-20060094750-A1 Sulfonyl benzimidazole derivatives KON-I KANA 2006-05-04 US disclosed