⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9601119 | 0.73 | — | — | |
| SCHEMBL518554 | 0.68 | — | — | |
| SCHEMBL1259340 | 0.68 | FAAH (0.31) | — | |
| SCHEMBL4286663 | 0.68 | HPGDS (0.30) | — | |
| Hydrochloric Acid SCHEMBL6207350 | 0.67 | — | — | |
| Hydrochloric Acid SCHEMBL28507568 | 0.67 | FAAH (0.43) | — | |
| SCHEMBL6156050 | 0.65 | CES2 (0.39) | — | |
| SCHEMBL5610307 | 0.65 | FAAH (0.42) | — | |
| SCHEMBL14738306 | 0.65 | — | — | |
| SCHEMBL11455275 | 0.64 | — | — |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9988373-B2 | Nitrogen-containing six-membered cyclic derivatives and pharmaceutical composition comprising the same | SHIONOGI & CO., LTD. (JP) | 2018-06-05 | — | — | US | disclosed |
| US-20160318916-A1 | NITROGEN-CONTAINING SIX-MEMBERED CYCLIC DERIVATIVES AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME | SHIONOGI & CO., LTD. (JP) | 2016-11-03 | — | — | US | 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 |