⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL635227 | 0.77 | — | — | |
| SCHEMBL1927521 | 0.68 | — | — | |
| SCHEMBL6069990 | 0.66 | — | — | |
| SCHEMBL7977088 | 0.55 | — | — | |
| SCHEMBL2946130 | 0.52 | ADRA1A (0.41) | — | |
| SCHEMBL3309997 | 0.52 | ADRA1A (0.41) | — | |
| SCHEMBL20522901 | 0.52 | — | — | |
| SCHEMBL550173 | 0.51 | ADRA1A (0.40) | — | |
| SCHEMBL824416 | 0.47 | CSNK2A1 (0.55) | — | |
| SCHEMBL3012280 | 0.46 | — | — |
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 17 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2814466-B1 | TABLET COMPRISING 1-(4-METHOXYBUTYL)-N-(2-METHYLPROPYL)-N-[(3S,5R)-5-(MORPHOLIN-4-YLCARBONYL)PIPERIDIN-3-YL]-1H-BENZIMIDAZOLE-2-CARBOXAMIDE OR A SALT THEREOF | TAKEDA PHARMACEUTICALS CO (JP) | 2018-12-26 | — | — | EP | disclosed |
| US-20160046601-A1 | HETEROCYCLIC COMPOUND AND USE THEREOF | TAKEDA PHARMACEUTICAL (JP) | 2016-02-18 | — | — | US | disclosed |
| US-9221836-B2 | Heterocyclic compound and use thereof | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2015-12-29 | — | — | US | disclosed |
| US-20150191486-A1 | HETEROCYCLIC COMPOUND AND USE THEREOF | TAKEDA PHARMACEUTICAL (JP) | 2015-07-09 | — | — | US | disclosed |
| US-9045436-B2 | Heterocyclic compound and use thereof | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2015-06-02 | — | — | US | disclosed |
| US-20150011549-A1 | TABLET | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2015-01-08 | — | — | US | disclosed |
| EP-2814466-A1 | TABLET | Takeda Pharmaceutical Company Limited (JP) | 2014-12-24 | — | — | EP | disclosed |
| CN-102123990-B | Heterocyclic compounds and their use | TAKEDA PHARMACEUTICAL | 2014-07-09 | — | — | CN | disclosed |
| US-8664380-B2 | Heterocyclic compound and use thereof | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2014-03-04 | — | — | US | disclosed |
| WO-2013122260-A1 | TABLET | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2013-08-22 | — | — | WO | disclosed |
| US-8466282-B2 | Heterocyclic compound and use thereof | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2013-06-18 | — | — | US | disclosed |
| US-20120264733-A1 | HETEROCYCLIC COMPOUND AND USE THEREOF | SCOHIA PHARMA, INC. (JP) | 2012-10-18 | — | — | US | disclosed |
| US-20120220575-A1 | N-SUBSTITUTED OXAZINOPTERIDINES AND OXAZINOPTERIDINONES | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2012-08-30 | — | — | US | disclosed |
| US-20110178057-A1 | HETEROCYCLIC COMPOUND AND USE THEREOF | TAKEDA PHARMACEUTICAL COMPANY LIMITED | 2011-07-21 | — | — | US | disclosed |
| EP-2297114-A2 | HETEROCYCLIC COMPOUND AND USE THEREOF | Takeda Pharmaceutical Company Limited (JP) | 2011-03-23 | — | — | EP | disclosed |
| US-20100137587-A1 | Heterocyclic compound and use thereof | TAKEDA PHARMACEUTICAL COMPANY LIMITED | 2010-06-03 | — | — | US | disclosed |
| WO-2009154300-A2 | HETEROCYCLIC COMPOUND AND USE THEREOF | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2009-12-23 | — | — | WO | disclosed |