⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6561497 | 0.79 | — | — | |
| SCHEMBL6842120 | 0.72 | — | — | |
| SCHEMBL1617908 | 0.69 | — | — | |
| SCHEMBL27951731 | 0.69 | — | — | |
| SCHEMBL28773349 | 0.69 | — | — | |
| SCHEMBL29013886 | 0.67 | — | — | |
| SCHEMBL30514378 | 0.67 | — | — | |
| SCHEMBL17429480 | 0.67 | — | — | |
| SCHEMBL336532 | 0.65 | — | — | |
| SCHEMBL1270341 | 0.64 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2014138113-A2 | 1,2-HYDROSILYLATION OF DIENES | PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) | 2014-09-12 | — | — | WO | disclosed |