⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6419658 | 1.00 | — | — | |
| SCHEMBL6417109 | 0.84 | ATM (0.35) | — | |
| SCHEMBL6420396 | 0.83 | — | — | |
| SCHEMBL6416576 | 0.83 | — | — | |
| SCHEMBL8503687 | 0.75 | LMNA (0.41) | — | |
| SCHEMBL6421186 | 0.75 | HCAR2 (0.40) | — | |
| SCHEMBL6416580 | 0.75 | HCAR2 (0.40) | — | |
| SCHEMBL6416132 | 0.75 | HCAR2 (0.40) | — | |
| SCHEMBL1324030 | 0.74 | — | — | |
| SCHEMBL19439502 | 0.70 | PTGS1 (0.30) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20050019668-A1 | Ionic conduction structural member, secondary battery and method of producing same | CANON KABUSHIKI KAISHA (JP) | 2005-01-27 | — | — | US | disclosed |