⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL702308 | 0.74 | — | — | |
| SCHEMBL6271246 | 0.67 | — | — | |
| SCHEMBL703343 | 0.65 | — | — | |
| SCHEMBL8618074 | 0.64 | — | — | |
| SCHEMBL677925 | 0.56 | — | — | |
| SCHEMBL7713865 | 0.56 | — | — | |
| Ethane SCHEMBL29270319 | 0.56 | — | — | |
| SCHEMBL1053224 | 0.56 | — | — | |
| SCHEMBL15954717 | 0.56 | — | — | |
| SCHEMBL109021 | 0.53 | — | — |
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-20120156481-A1 | FUSER MEMBER AND COMPOSITION | XEROX CORPORATION (US) | 2012-06-21 | — | — | US | claimed |