SCHEMBL786896

SCHEMBL786896

CC(C)(O)C[NH]

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
SCHEMBL786488 0.72
SCHEMBL10368374 0.70
SCHEMBL196284 0.70
SCHEMBL11882738 0.70
SCHEMBL3325067 0.67
SCHEMBL37987 0.67 ALDH1A1 (1.00)
SCHEMBL38006 0.67
SCHEMBL12478173 0.67
Amylene Hydrate SCHEMBL2013421 0.67 ALDH1A1 (0.54)
Amylene Hydrate SCHEMBL10721 0.67

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 180 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3558963-A1 BICYCLIC HETEROAROMATIC COMPOUNDS AS IMMUNOMODULATORS Incyte Corporation (US) 2019-10-30 EP claimed
US-20180179202-A1 HETEROCYCLIC COMPOUNDS AS IMMUNOMODULATORS INCYTE CORPORATION 2018-06-28 US claimed
WO-2018119286-A1 BICYCLIC HETEROAROMATIC COMPOUNDS AS IMMUNOMODULATORS INCYTE CORPORATION (US) 2018-06-28 WO claimed
US-9708267-B2 Activators of human pyruvate kinase THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2017-07-18 US claimed
US-9394297-B2 Amides as pim inhibitors AMGEN INC. (US) 2016-07-19 US claimed
US-20150329538-A1 AMIDES AS PIM INHIBITORS AMGEN INC. (US) 2015-11-19 US claimed
EP-2178375-B1 PYRAZOLOÝ1,5-A¨PYRIMIDINE DERIVATIVES MERCK SHARP & DOHME (US) 2014-09-24 EP claimed
US-8729089-B2 Pyrido(3,2-d)pyrimidines useful for treating viral infections GILEAD SCIENCES, INC. (US) 2014-05-20 US claimed
WO-2013130660-A1 AMIDES AS PIM INHIBITORS AMGEN INC. (US) 2013-09-06 WO claimed
US-8461162-B2 Pyrazolo[1,5-a]pyrimidine derivatives MERCK SHARP & DOHME CORP. (US) 2013-06-11 US claimed
EP-1641767-A2 BICYCLIC HETEROCYCLES, DRUGS CONTAINING SAID COMPOUNDS, THE USE THEREOF AND METHOD FOR PREPARING THE SAME Boehringer Ingelheim International GmbH (DE) 2006-04-05 EP claimed
US-20050014772-A1 Bicyclic heterocycles, pharmaceutical compositions containing these compounds, their use and processes for preparing them BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-01-20 US claimed
WO-2004108664-A2 BICYCLIC HETEROCYCLES, DRUGS CONTAINING SAID COMPOUNDS, THE USE THEREOF AND METHOD FOR PREPARING THE SAME BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2004-12-16 WO claimed
US-20040180922-A1 Substituted 3-amino-thieno [2,3-b]pyridine-2-carboxylic acid amide compounds and processes for preparing and their uses BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2004-09-16 US claimed
EP-1308447-A1 Purine derivatives having antiproliferative properties and biological uses thereof Centre National de la Recherche Scientifique (C.N.R.S.) (FR) 2003-05-07 EP claimed
US-20020035252-A1 Purine inhibitors of cyclin dependent kinase 2 &amp; IkBa LUM ROBERT T (US) 2002-03-21 US claimed
EP-1150982-A1 PURINE INHIBITORS OF CYCLIN DEPENDENT KINASE 2 AND I$g(k)-A$g(a) CV THERAPEUTICS, INC. (US) 2001-11-07 EP claimed
WO-2000044750-A1 PURINE INHIBITORS OF CYCLIN DEPENDENT KINASE 2 AND Iλ-A$g(a) CV THERAPEUTICS, INC. (US) 2000-08-03 WO claimed
EP-0874847-A1 NOVEL PURINE DERIVATIVES HAVING, IN PARTICULAR, ANTIPROLIFERATIVE PROPERTIES, AND BIOLOGICAL USES THEREOF CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 1998-11-04 EP claimed
WO-1997020842-A1 NOVEL PURINE DERIVATIVES HAVING, IN PARTICULAR, ANTIPROLIFERATIVE PROPERTIES, AND BIOLOGICAL USES THEREOF CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (C.N.R.S.) (FR) 1997-06-12 WO claimed