⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4629161 | 0.70 | — | — | |
| SCHEMBL25320836 | 0.69 | HCAR2 (0.36) | — | |
| SCHEMBL6057058 | 0.68 | — | — | |
| SCHEMBL15815272 | 0.67 | — | — | |
| SCHEMBL7088241 | 0.66 | — | — | |
| Malonaldehyde SCHEMBL3448391 | 0.64 | — | — | |
| SCHEMBL140209 | 0.61 | — | — | |
| SCHEMBL1536745 | 0.61 | — | — | |
| SCHEMBL1119351 | 0.59 | — | — | |
| SCHEMBL6670191 | 0.59 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7563613-B2 | Detoxification and decontamination using nanotechnology therapy | UNIVERSITY OF FLORIDA (US) | 2009-07-21 | — | — | US | disclosed |
| US-6977171-B1 | Detoxification and decontamination using nanotechnology therapy | UNIVERSITY OF FLORIDA (US) | 2005-12-20 | — | — | US | disclosed |
| US-20050271734-A1 | Detoxification and decontamination using nanotechnology therapy | UNIVERSITY OF FLORIDA | 2005-12-08 | — | — | US | disclosed |
| WO-2002080885-A1 | DETOXIFICATION AND DECONTAMINATION USING NANOTECHNOLOGY THERAPY | UNIVERSITY OF FLORIDA (US) | 2002-10-17 | — | — | WO | disclosed |