⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17704218 | 0.96 | — | — | |
| SCHEMBL15923695 | 0.94 | — | — | |
| SCHEMBL15923154 | 0.85 | — | — | |
| SCHEMBL1978762 | 0.82 | — | — | |
| SCHEMBL7120876 | 0.75 | — | — | |
| SCHEMBL153538 | 0.73 | POLA1 (0.31) | — | |
| SCHEMBL152343 | 0.73 | POLA1 (0.31) | — | |
| SCHEMBL1010916 | 0.73 | POLA1 (0.31) | — | |
| SCHEMBL8372326 | 0.73 | POLA1 (0.31) | — | |
| SCHEMBL5898951 | 0.73 | POLA1 (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 |
|---|---|---|---|---|---|---|---|
| WO-2014121008-A1 | NORBORNENYLHYDROCARBYLENE DIHYDROCARBYLBORANES AND METHODS OF MAKING THE SAME | PROMERUS, LLC (US) | 2014-08-07 | — | — | WO | disclosed |