⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28723721 | 0.82 | GAA (0.58) | — | |
| SCHEMBL9547640 | 0.82 | GAA (0.72) | — | |
| SCHEMBL4517973 | 0.80 | — | — | |
| SCHEMBL418428 | 0.80 | — | — | |
| Benzene SCHEMBL29129490 | 0.80 | GAA (0.58) | — | |
| SCHEMBL27177336 | 0.80 | — | — | |
| SCHEMBL569283 | 0.78 | — | — | |
| Ammonia Solution, Strong SCHEMBL11386737 | 0.78 | GAA (0.56) | — | |
| SCHEMBL6293822 | 0.78 | — | — | |
| SCHEMBL3091207 | 0.78 | — | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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 |
| US-20110118172-A1 | METASTIN DERIVATIVE AND USE THEREOF | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2011-05-19 | — | — | US | disclosed |
| EP-2277900-A1 | METASTIN DERIVATIVE AND USE THEREOF | Takeda Pharmaceutical Company Limited (JP) | 2011-01-26 | — | — | EP | disclosed |