⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL73292 | 0.92 | — | — | |
| SCHEMBL10212111 | 0.88 | — | — | |
| SCHEMBL21534106 | 0.83 | — | — | |
| SCHEMBL19820064 | 0.81 | — | — | |
| SCHEMBL16307965 | 0.81 | TAS1R3 (0.32) | — | |
| SCHEMBL12162800 | 0.81 | — | — | |
| SCHEMBL17998022 | 0.80 | — | — | |
| SCHEMBL23219401 | 0.78 | — | — | |
| SCHEMBL6286512 | 0.78 | — | — | |
| SCHEMBL13648307 | 0.78 | TAS1R3 (0.31) | — |
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 |