⚠ 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.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL12093027 | 1.00 | — | — | |
| SCHEMBL7360607 | 1.00 | — | — | |
| SCHEMBL12093031 | 1.00 | — | — | |
| SCHEMBL4545224 | 1.00 | — | — | |
| SCHEMBL17145486 | 1.00 | — | — | |
| SCHEMBL16292410 | 0.86 | CYP2C9 (0.39) | — | |
| SCHEMBL26984821 | 0.84 | — | — | |
| Methane SCHEMBL16794517 | 0.83 | CYP2C9 (0.38) | — | |
| SCHEMBL23926890 | 0.78 | — | — | |
| SCHEMBL136714 | 0.78 | — | — |
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 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1737823-A2 | NOVEL ALKYNE COMPOUNDS WITH AN MCH-ANTAGONISTIC ACTION AND MEDICAMENTS COMPRISING SAID COMPOUNDS | Boehringer Ingelheim International GmbH (DE) | 2007-01-03 | — | — | EP | claimed |
| WO-2005103002-A2 | NOVEL ALKYNE COMPOUNDS WITH AN MCH-ANTAGONISTIC ACTION AND MEDICAMENTS COMPRISING SAID COMPOUNDS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2005-11-03 | — | — | WO | claimed |
| US-9580390-B2 | Indazole compounds as kinase inhibitors and method of treating cancer with same | UNIVERSITY HEALTH NETWORK (CA) | 2017-02-28 | — | — | US | disclosed |
| EP-2477984-B1 | A METHOD FOR THE N-DEMETHYLATION OF N-METHYL HETEROCYCLES | UNIV MONASH (AU) | 2016-08-03 | — | — | EP | disclosed |
| US-9340550-B2 | Methods for one-pot N-demethylation/N-functionalization of morphine and tropane alkaloids | BROCK UNIVERSITY (CA) | 2016-05-17 | — | — | US | disclosed |
| US-20150231141-A1 | NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS AND USES THEREOF | ABBVIE INC (US) | 2015-08-20 | — | — | US | disclosed |
| US-9073934-B2 | Method for the N-demethylation of N-methyl heterocycles | MONASH UNIVERSITY (AU) | 2015-07-07 | — | — | US | disclosed |
| US-20150152120-A1 | METHODS FOR ONE-POT N-DEMETHYLATION/N-FUNCTIONALIZATION OF MORPHINE AND TROPANE ALKALOIDS | BROCK UNIVERSITY (CA) | 2015-06-04 | — | — | US | disclosed |
| US-8962841-B2 | Methods for one-pot N-demethylation/N-functionalization of morphine and tropane alkaloids | BROCK UNIVERSITY (CA) | 2015-02-24 | — | — | US | disclosed |
| US-20140371202-A1 | INDAZOLE COMPOUNDS AS KINASE INHIBITORS AND METHOD OF TREATING CANCER WITH SAME | UNIVERSITY HEALTH NETWORK (CA) | 2014-12-18 | — | — | US | disclosed |
| EP-2536730-A1 | PYRROLOPYRIMIDINE COMPOUNDS AS INHIBITORS OF CDK4/6 | Novartis AG (CH) | 2012-12-26 | — | — | EP | disclosed |
| WO-2010015815-A2 | COMPOUNDS FOR THE TREATMENT OF FLAVIVIRAL INFECTIONS | SUMMIT CORPORATION PLC (GB) | 2010-02-11 | — | — | WO | disclosed |
| WO-2009098208-A1 | NOVEL PHENYLETHYNYL DERIVATIVES OF 8-AZA-BICYCLO[3.2.1]OCTANE AND THEIR USE AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS | NEUROSEARCH A/S (DK) | 2009-08-13 | — | — | WO | disclosed |
| EP-1781656-B1 | ARYL-SUBSTITUTED POLYCYCLIC AMINES, METHOD FOR THE PRODUCTION THEREOF, AND USE THEREOF AS A MEDICAMENT | SANOFI AVENTIS DEUTSCHLAND (DE) | 2007-12-19 | — | — | EP | disclosed |
| EP-1781656-A2 | ARYL-SUBSTITUTED POLYCYCLIC AMINES, METHOD FOR THE PRODUCTION THEREOF, AND USE THEREOF AS A MEDICAMENT | Sanofi-Aventis Deutschland GmbH (DE) | 2007-05-09 | — | — | EP | disclosed |
| EP-1737823-A2 | NOVEL ALKYNE COMPOUNDS WITH AN MCH-ANTAGONISTIC ACTION AND MEDICAMENTS COMPRISING SAID COMPOUNDS | Boehringer Ingelheim International GmbH (DE) | 2007-01-03 | — | — | EP | disclosed |
| WO-2006018279-A2 | ARYL-SUBSTITUTED POLYCYCLIC AMINES, METHOD FOR THE PRODUCTION THEREOF, AND USE THEREOF AS A MEDICAMENT | SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) | 2006-02-23 | — | — | WO | disclosed |
| WO-2005103002-A2 | NOVEL ALKYNE COMPOUNDS WITH AN MCH-ANTAGONISTIC ACTION AND MEDICAMENTS COMPRISING SAID COMPOUNDS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2005-11-03 | — | — | WO | disclosed |
| US-6867201-B2 | Heteroaromatic bicyclic derivatives useful as anticancer agents | PFIZER INC (US) | 2005-03-15 | — | — | US | disclosed |
| US-6465449-B1 | SUCH AS (6-(4-(6-AMINO-3-AZA-BICYCLO(3.1.0)HEX-3-YLMETHYL)-PHENYL)-QUINAZOLIN-4-YL) -(4-PHENOXY-PHENYL)-AMINE | PFIZER INC. | 2002-10-15 | — | — | US | disclosed |