⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28438128 | 0.78 | — | — | |
| SCHEMBL2196122 | 0.74 | — | — | |
| SCHEMBL351357 | 0.74 | — | — | |
| SCHEMBL28218973 | 0.72 | — | — | |
| SCHEMBL28318429 | 0.72 | — | — | |
| Water SCHEMBL27837834 | 0.72 | — | — | |
| SCHEMBL27278813 | 0.72 | — | — | |
| SCHEMBL10607103 | 0.72 | — | — | |
| SCHEMBL27496746 | 0.66 | — | — | |
| SCHEMBL27467110 | 0.66 | — | — |
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-7314505-B1 | Stationary phase deposition based on onium salts | SANDIA CORPORATION (US) | 2008-01-01 | — | — | US | disclosed |