SCHEMBL972027

SCHEMBL972027

O=C(Cl)c1ccc(I)o1

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
SCHEMBL1355720 0.82 MAPT (0.39)
SCHEMBL302942 0.78
SCHEMBL4930089 0.76
SCHEMBL19432685 0.76
SCHEMBL31462930 0.75 ALDH1A1 (0.42)
SCHEMBL11274940 0.73
SCHEMBL3063658 0.71 KMT2A (0.38)
SCHEMBL353183 0.71
SCHEMBL301866 0.71
SCHEMBL27992898 0.71 MEN1 (0.59)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130225825-A1 PROCESS FOR THE PREPARATION OF TRYPTASE INHIBITORS SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2013-08-29 US disclosed
CN-101429194-B Process for the preparation of tryptase inhibitors AVENTIS PHARMACEUTICALS, INC. (US) 2011-12-14 CN disclosed
US-20110015400-A1 PROCESS FOR THE PREPARATION OF TRYPTASE INHIBITORS SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2011-01-20 US disclosed
CN-1950362-B Preparation method of tryptase inhibitor AVENTIS PHARMA INC 2010-08-04 CN disclosed
EP-1723140-B1 PROCESS FOR THE PREPARATION OF TRYPTASE INHIBITORS AVENTIS PHARMA INC (US) 2009-11-04 EP disclosed
CN-101429194-A Process for the preparation of tryptase inhibitors AVENTIS PHARMA INC (US) 2009-05-13 CN disclosed
US-20070197597-A1 Process for the preparation of tryptase inhibitors SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2007-08-23 US disclosed
CN-1950362-A Preparation method of tryptase inhibitor AVENTIS PHARMA INC (US) 2007-04-18 CN disclosed
EP-1723140-A1 PROCESS FOR THE PREPARATION OF TRYPTASE INHIBITORS Aventis Pharmaceuticals Inc. (US) 2006-11-22 EP disclosed
WO-2005095385-A1 PROCESS FOR THE PREPARATION OF TRYPTASE INHIBITORS AVENTIS PHARMACEUTICALS INC. (US) 2005-10-13 WO disclosed
EP-1571150-A1 Process for the preparation of tryptase inhibitors Aventis Pharma Deutschland GmbH (DE) 2005-09-07 EP disclosed