⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4600275 | 0.77 | TRPA1 (0.33) | — | |
| SCHEMBL1452074 | 0.74 | KDM4E (0.38) | — | |
| SCHEMBL5475468 | 0.74 | SMN1; SMN2 (0.44) | — | |
| SCHEMBL7447378 | 0.74 | TRPA1 (0.36) | — | |
| SCHEMBL4838369 | 0.73 | — | — | |
| SCHEMBL3461359 | 0.73 | — | — | |
| SCHEMBL5484187 | 0.70 | HTT (0.45) | — | |
| SCHEMBL6634986 | 0.70 | TAAR1 (0.40) | — | |
| SCHEMBL5479979 | 0.70 | ALDH1A1 (0.41) | — | |
| SCHEMBL4838809 | 0.70 | CA1 (0.42) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1910320-A2 | INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF | Mitsubishi Tanabe Pharma Corporation (JP) | 2008-04-16 | — | — | EP | claimed |
| WO-2007011065-A2 | INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF | MITSUBISHI TANABE PHARMA CORPORATION (JP) | 2007-01-25 | — | — | WO | claimed |
| EP-1910320-A2 | INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF | Mitsubishi Tanabe Pharma Corporation (JP) | 2008-04-16 | — | — | EP | disclosed |
| WO-2007011065-A2 | INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF | MITSUBISHI TANABE PHARMA CORPORATION (JP) | 2007-01-25 | — | — | WO | disclosed |