⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1258998 | 0.95 | NPSR1 (0.48) | — | |
| SCHEMBL1260214 | 0.93 | L3MBTL1 (0.48) | — | |
| SCHEMBL11829439 | 0.90 | NPSR1 (0.58) | — | |
| SCHEMBL3584377 | 0.80 | KDM4E (0.55) | — | |
| SCHEMBL11830885 | 0.80 | HSD17B10 (0.44) | — | |
| SCHEMBL2755861 | 0.73 | NPSR1 (0.50) | — | |
| SCHEMBL11421204 | 0.73 | ALDH1A1 (0.50) | — | |
| SCHEMBL613024 | 0.73 | CA12 (0.58) | — | |
| SCHEMBL718206 | 0.71 | NPSR1 (0.82) | — | |
| SCHEMBL2755851 | 0.71 | CA12 (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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8445509-B2 | Fused heterocyclic derivatives and use thereof | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2013-05-21 | — | — | US | disclosed |
| US-8304557-B2 | Fused heterocycle derivatives and use thereof | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2012-11-06 | — | — | US | disclosed |
| US-20110046169-A1 | FUSED HETEROCYCLIC DERIVATIVES AND USE THEREOF | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2011-02-24 | — | — | US | disclosed |
| EP-2162445-A1 | HETEROBICYCLIC COMPOUNDS AS KINASE INHIBITORS | Takeda Pharmaceutical Company Limited (JP) | 2010-03-17 | — | — | EP | disclosed |
| WO-2009136663-A1 | FUSED HETEROCYCLIC DERIVATIVES AND USE THEREOF | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2009-11-12 | — | — | WO | disclosed |
| US-20090163488-A1 | FUSED HETEROCYCLE DERIVATIVES AND USE THEREOF | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2009-06-25 | — | — | US | disclosed |
| WO-2008150015-A1 | HETEROBICYCLIC COMPOUNDS AS KINASE INHIBITORS | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2008-12-11 | — | — | WO | disclosed |