⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16288367 | 0.71 | — | — | |
| SCHEMBL6582375 | 0.71 | — | — | |
| SCHEMBL19456321 | 0.68 | — | — | |
| SCHEMBL8236066 | 0.65 | — | — | |
| SCHEMBL1543623 | 0.65 | SHBG (0.46) | — | |
| SCHEMBL8238840 | 0.65 | — | — | |
| SCHEMBL126585 | 0.65 | — | — | |
| SCHEMBL4959409 | 0.62 | SHBG (0.33) | — | |
| SCHEMBL21085128 | 0.61 | SHBG (0.35) | — | |
| SCHEMBL16467965 | 0.61 | — | — |
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-2049541-A2 | FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF | Takeda Pharmaceutical Company Limited (JP) | 2009-04-22 | — | — | EP | disclosed |
| WO-2008016192-A2 | FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2008-02-07 | — | — | WO | disclosed |