⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3637717 | 0.89 | — | — | |
| SCHEMBL6979164 | 0.72 | — | — | |
| SCHEMBL13528548 | 0.68 | — | — | |
| SCHEMBL15259590 | 0.67 | TDP1 (0.40) | — | |
| SCHEMBL11043150 | 0.67 | EPHX2 (0.48) | — | |
| SCHEMBL11043155 | 0.67 | EPHX2 (0.48) | — | |
| SCHEMBL687674 | 0.67 | — | — | |
| SCHEMBL1257972 | 0.67 | — | — | |
| SCHEMBL17366128 | 0.65 | — | — | |
| SCHEMBL1257971 | 0.65 | — | — |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105101935-A | Curable composition | KURARAY NORITAKE DENTAL INC | 2015-11-25 | — | — | CN | claimed |
| CN-105101935-B | Curable composition | 可乐丽则武齿科株式会社 | 2018-02-23 | — | — | CN | disclosed |
| CN-105101935-A | Curable composition | KURARAY NORITAKE DENTAL INC | 2015-11-25 | — | — | CN | disclosed |
| 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 |