⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL767196 | 0.62 | — | — | |
| SCHEMBL3754611 | 0.55 | — | — | |
| SCHEMBL2398840 | 0.49 | AHR (0.52) | — | |
| SCHEMBL12219421 | 0.46 | CCR8 (0.50) | — | |
| SCHEMBL23162499 | 0.23 | — | — | |
| Potassium SCHEMBL125191 | 0.23 | — | — | |
| SCHEMBL25438576 | 0.23 | — | — | |
| Potassium SCHEMBL41819 | 0.23 | — | — | |
| SCHEMBL6559802 | 0.23 | — | — | |
| Methane SCHEMBL23044967 | 0.23 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2601192-B1 | FUSED HETEROCYCLIC COMPOUNDS | TAKEDA PHARMACEUTICALS CO (JP) | 2017-03-01 | — | — | EP | disclosed |
| US-9029536-B2 | Fused heterocyclic compounds | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2015-05-12 | — | — | US | disclosed |
| US-20130172292-A1 | FUSED HETEROCYCLIC COMPOUNDS | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2013-07-04 | — | — | US | disclosed |