⚠ 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 | |
|---|---|---|---|---|
| Iodide SCHEMBL27841836 | 0.94 | — | — | |
| Phosphine SCHEMBL29266084 | 0.94 | — | — | |
| SCHEMBL5214499 | 0.86 | RXRA (0.39) | — | |
| SCHEMBL4011227 | 0.82 | RXRA (0.37) | — | |
| SCHEMBL27718887 | 0.82 | RXRA (0.41) | — | |
| Toluene SCHEMBL7271060 | 0.82 | ACHE (0.52) | — | |
| SCHEMBL20147811 | 0.78 | ESR2 (0.50) | — | |
| SCHEMBL27519857 | 0.77 | RARA (0.32) | — | |
| SCHEMBL8115899 | 0.76 | MCL1 (0.50) | — | |
| SCHEMBL7930011 | 0.76 | L3MBTL1 (0.47) | — |
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-20080244963-A1 | Lead-Free Aviation Fuel | TOTAL FRANCE (FR) | 2008-10-09 | — | — | US | claimed |