⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10827480 | 1.00 | — | — | |
| SCHEMBL10827484 | 1.00 | — | — | |
| SCHEMBL31465162 | 0.81 | — | — | |
| SCHEMBL20337957 | 0.78 | — | — | |
| SCHEMBL24656090 | 0.75 | — | — | |
| SCHEMBL20782996 | 0.75 | — | — | |
| SCHEMBL4815399 | 0.69 | TP53 (0.31) | — | |
| SCHEMBL27528332 | 0.69 | — | — | |
| SCHEMBL20337845 | 0.67 | TSHR (0.37) | — | |
| SCHEMBL6113816 | 0.67 | TP53 (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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4631292-A | 1,3-dioxane derivatives, method of their synthesis and anti-peptic ulcer agent | KOTOBUKI SEIYAKU CO., LTD. (JP) | 1986-12-23 | — | — | US | disclosed |