⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9680769 | 1.00 | — | — | |
| SCHEMBL9679837 | 1.00 | — | — | |
| SCHEMBL9679842 | 1.00 | — | — | |
| SCHEMBL353861 | 0.87 | — | — | |
| SCHEMBL353860 | 0.87 | — | — | |
| SCHEMBL3437088 | 0.87 | — | — | |
| SCHEMBL353862 | 0.87 | — | — | |
| SCHEMBL463486 | 0.87 | — | — | |
| SCHEMBL13932839 | 0.81 | — | — | |
| SCHEMBL31680287 | 0.79 | SLC6A2 (0.38) | — |
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-5155240-A | Process for producing optically active dihydropyran derivative | TAKASAGO INTERNATIONAL CORPORATION (JP) | 1992-10-13 | — | — | US | disclosed |