⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4501720 | 0.73 | — | — | |
| SCHEMBL3432363 | 0.59 | — | — | |
| SCHEMBL885484 | 0.57 | — | — | |
| SCHEMBL7779430 | 0.54 | — | — | |
| SCHEMBL4278367 | 0.54 | — | — | |
| SCHEMBL16215281 | 0.49 | — | — | |
| SCHEMBL3859834 | 0.47 | — | — | |
| SCHEMBL17581127 | 0.47 | — | — | |
| SCHEMBL21698328 | 0.42 | — | — | |
| SCHEMBL2614743 | 0.40 | HRH4 (0.33) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1904498-A1 | FUSED HETEROCYCLIC DERIVATIVES AND USE THEREOF | Takeda Pharmaceutical Company Limited (JP) | 2008-04-02 | — | — | EP | disclosed |
| WO-2007004749-A1 | FUSED HETEROCYCLIC DERIVATIVES AND USE THEREOF | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2007-01-11 | — | — | WO | disclosed |