⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9720231 | 0.91 | NAAA (0.31) | — | |
| SCHEMBL9716406 | 0.87 | TLR2 (0.33) | — | |
| SCHEMBL9716310 | 0.85 | TLR2 (0.33) | — | |
| SCHEMBL9716319 | 0.85 | CYSLTR2 (0.32) | — | |
| SCHEMBL9716400 | 0.83 | — | — | |
| SCHEMBL9716331 | 0.78 | — | — | |
| SCHEMBL9720263 | 0.77 | PLA2G2A (0.38) | — | |
| SCHEMBL9720221 | 0.77 | PLA2G2A (0.38) | — | |
| SCHEMBL9720171 | 0.76 | NAAA (0.33) | — | |
| SCHEMBL9716220 | 0.75 | MEN1 (0.34) | — |
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-5103007-A | Antitumor agents | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1992-04-07 | — | — | US | disclosed |