⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13516446 | 0.69 | — | — | |
| SCHEMBL18788982 | 0.67 | — | — | |
| SCHEMBL2923845 | 0.65 | ADRA2A (0.32) | — | |
| SCHEMBL6399596 | 0.65 | — | — | |
| SCHEMBL1588640 | 0.64 | — | — | |
| SCHEMBL577643 | 0.63 | TSHR (0.36) | — | |
| SCHEMBL577644 | 0.63 | TSHR (0.36) | — | |
| SCHEMBL29246 | 0.62 | — | — | |
| SCHEMBL249017 | 0.61 | — | — | |
| SCHEMBL2537276 | 0.61 | HRH1 (0.36) | — |
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 5 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 |
| EP-2601192-A1 | FUSED HETEROCYCLIC COMPOUNDS | Takeda Pharmaceutical Company Limited (JP) | 2013-06-12 | — | — | EP | disclosed |
| WO-2012018909-A1 | FUSED HETEROCYCLIC COMPOUNDS | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2012-02-09 | — | — | WO | disclosed |