⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2187089 | 0.86 | APP (0.39) | — | |
| SCHEMBL864945 | 0.76 | APP (1.00) | — | |
| SCHEMBL9611200 | 0.76 | APP (1.00) | — | |
| SCHEMBL3122121 | 0.75 | APP (0.72) | — | |
| SCHEMBL3010404 | 0.73 | — | — | |
| Acetonitrile SCHEMBL9172655 | 0.73 | CYP2A6 (0.55) | — | |
| SCHEMBL320609 | 0.73 | MEN1 (1.00) | — | |
| SCHEMBL27981 | 0.73 | — | — | |
| SCHEMBL10035461 | 0.71 | APP (0.74) | — | |
| SCHEMBL9611197 | 0.71 | APP (0.77) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8148428-B2 | Antiviral drugs for treatment of arenavirus infection | SIGA TECHNOLOGIES, INC. (US) | 2012-04-03 | — | — | US | disclosed |
| US-20090036513-A1 | Antiviral Drugs for Treatment of Arenavirus Infection | SIGA TECHNOLOGIES, INC. (US) | 2009-02-05 | — | — | US | disclosed |