⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL261612 | 1.00 | — | — | |
| SCHEMBL608493 | 0.88 | — | — | |
| SCHEMBL610843 | 0.88 | — | — | |
| SCHEMBL3390102 | 0.87 | — | — | |
| SCHEMBL609154 | 0.75 | — | — | |
| SCHEMBL1273978 | 0.69 | — | — | |
| SCHEMBL1273551 | 0.69 | — | — | |
| SCHEMBL25319330 | 0.68 | APLNR (0.34) | — | |
| SCHEMBL21828844 | 0.68 | APLNR (0.34) | — | |
| SCHEMBL14486859 | 0.68 | APLNR (0.34) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9388195-B2 | Heterocyclic compound | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2016-07-12 | — | — | US | disclosed |
| US-20150158882-A1 | HETEROCYCLIC COMPOUND | TAKEDA PHARMACEUTICAL (JP) | 2015-06-11 | — | — | US | disclosed |
| US-20120040991-A1 | 3-AZABICYCLO [4.1.0] HEPTANES USED AS OREXIN ANTAGONISTS | GLAXO GROUP LIMITED (GB) | 2012-02-16 | — | — | US | disclosed |
| US-20100144760-A1 | NOVEL COMPOUNDS | GLAXO GROUP LIMITED (GB) | 2010-06-10 | — | — | US | disclosed |