⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1707704 | 0.93 | — | — | |
| SCHEMBL1707739 | 0.93 | — | — | |
| SCHEMBL1708193 | 0.93 | — | — | |
| SCHEMBL1708263 | 0.91 | — | — | |
| SCHEMBL1708527 | 0.88 | HDAC1 (0.30) | — | |
| SCHEMBL1708574 | 0.88 | HDAC1 (0.30) | — | |
| SCHEMBL1708311 | 0.88 | HDAC1 (0.30) | — | |
| SCHEMBL1708573 | 0.88 | LTB4R (0.33) | — | |
| SCHEMBL1708190 | 0.87 | KDM4C (0.30) | — | |
| SCHEMBL1707914 | 0.86 | MAPT (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-2440541-A1 | NOVEL FUSED CYCLIC COMPOUND AND USE THEREOF | Takeda Pharmaceutical Company Limited (JP) | 2012-04-18 | — | — | EP | disclosed |
| WO-2010143733-A1 | NOVEL FUSED CYCLIC COMPOUND AND USE THEREOF | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2010-12-16 | — | — | WO | disclosed |