⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6717220 | 1.00 | — | — | |
| SCHEMBL13892466 | 1.00 | — | — | |
| SCHEMBL734653 | 1.00 | — | — | |
| SCHEMBL27798524 | 1.00 | — | — | |
| SCHEMBL21952 | 1.00 | — | — | |
| SCHEMBL418718 | 0.97 | — | — | |
| SCHEMBL3230987 | 0.97 | ALDH1A1 (0.38) | — | |
| SCHEMBL3791597 | 0.97 | ALDH1A1 (0.38) | — | |
| SCHEMBL330063 | 0.97 | — | — | |
| SCHEMBL3784576 | 0.97 | ALDH1A1 (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-9938253-B2 | Catalysts for efficient Z-selective metathesis | TRUSTEES OF BOSTON COLLEGE (US) | 2018-04-10 | — | — | US | disclosed |