SCHEMBL3288441

SCHEMBL3288441

[C]1CCCCC2CC=CC=C12

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
SCHEMBL142906 0.94
SCHEMBL1664572 0.86
SCHEMBL5499429 0.73
SCHEMBL9630606 0.73
SCHEMBL720057 0.68
SCHEMBL15066143 0.67
SCHEMBL121612 0.65
SCHEMBL9831254 0.65
SCHEMBL8069472 0.65
SCHEMBL7097629 0.64

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100298278-A1 INHIBITORS OF BETA-SECRETASE FOR THE TREATMENT OF ALZHEIMER'S DISEASE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-11-25 US disclosed
US-20100204160-A1 SUBSTITUTED 1,2-ETHYLENEDIAMINES, METHODS FOR PREPARING THEM AND USES THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-08-12 US disclosed
US-20100168070-A1 COMPOUNDS FOR THE TREATMENT OF ALZHEIMER'S DISEASE HEINE NIKLAS 2010-07-01 US disclosed
US-20100144681-A1 COMPOUNDS FOR THE TREATMENT OF ALZHEIMER'S DISEASE BOEHRINGER INGELHEIM INTERNATION GMNB (DE) 2010-06-10 US disclosed
US-7713961-B2 Substituted 1,2-ethylenediamines, methods for preparing them and uses thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-05-11 US disclosed
US-20090325940-A1 Substituted 1,2-ethylenediamines, Methods for Preparing Them and Uses Thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-12-31 US disclosed
US-20090042867-A1 COMPOUNDS FOR THE TREATMENT OF ALZHEIMER'S DISEASE FUCHS KLAUS 2009-02-12 US disclosed
EP-1919861-A2 COMPOUNDS FOR TREATING ALZHEIMER'S DISEASE Boehringer Ingelheim International GmbH (DE) 2008-05-14 EP disclosed
EP-1915353-A2 ISOPHTHALIC ACID DIAMIDES FOR TREATING ALZHEIMER DISEASE Boehringer Ingelheim International GmbH (DE) 2008-04-30 EP disclosed
EP-1915352-A1 COMPOUNDS FOR THE TREATMENT OF ALZHEIMER'S DISEASE Boehringer Ingelheim International GmbH (DE) 2008-04-30 EP disclosed
EP-1915339-A1 BETA-SECRETASE INHIBITORS FOR USE IN THE TREATMENT OF ALZHEIMER'S DISEASE Boehringer Ingelheim International GmbH (DE) 2008-04-30 EP disclosed
EP-1866034-A1 SUBSTITUTED 1,2-ETHYLENDIAMINES, MEDICAMENTS COMPRISING SAID COMPOUND; THEIR USE AND THEIR METHOD OF MANUFACTURE Boehringer Ingelheim International GmbH (DE) 2007-12-19 EP disclosed
WO-2007017509-A1 COMPOUNDS FOR THE TREATMENT OF ALZHEIMER'S DISEASE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-02-15 WO disclosed
WO-2007017507-A1 BETA-SECRETASE INHIBITORS FOR USE IN THE TREATMENT OF ALZHEIMER'S DISEASE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-02-15 WO disclosed
WO-2007017510-A2 ISOPHTHALIC ACID DIAMIDES FOR TREATING ALZHEIMER'S DISEASE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-02-15 WO disclosed
WO-2007017511-A2 COMPOUNDS FOR TREATING ALZHEIMER'S DISEASE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-02-15 WO disclosed
US-20060223759-A1 Substituted 1,2-ethylenediamines, Methods for Preparing Them and Uses Thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-10-05 US disclosed
WO-2006103038-A1 SUBSTITUTED 1,2-ETHYLENDIAMINES, MEDICAMENTS COMPRISING SAID COMPOUND; THEIR USE AND THEIR METHOD OF MANUFACTURE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-10-05 WO disclosed