⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL8149159 | 0.96 | POLB (0.45) | — | |
| Phosphine SCHEMBL27494537 | 0.91 | — | — | |
| Methyl Alcohol SCHEMBL27569221 | 0.87 | POLB (0.45) | — | |
| SCHEMBL11225788 | 0.84 | POLB (0.43) | — | |
| SCHEMBL489198 | 0.81 | POLB (0.41) | — | |
| SCHEMBL31673873 | 0.81 | POLB (0.55) | — | |
| SCHEMBL573212 | 0.75 | AR (0.47) | — | |
| SCHEMBL9667 | 0.75 | CYP3A4 (0.50) | — | |
| SCHEMBL19838629 | 0.73 | TRPA1 (0.48) | — | |
| SCHEMBL3220414 | 0.73 | POLB (0.48) | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1971668-A1 | LEAD-FREE AVIATION FUEL | Total France (FR) | 2008-09-24 | — | — | EP | disclosed |
| EP-1940781-A1 | PHENYL-ACETAMIDE NNRT INHIBITORS | F.HOFFMANN-LA ROCHE AG (CH) | 2008-07-09 | — | — | EP | disclosed |
| US-7388111-B2 | Non-nucleoside reverse transcriptase inhibitors | ROCHE PALO ALTO LLC (US) | 2008-06-17 | — | — | US | disclosed |
| WO-2007074226-A1 | LEAD-FREE AVIATION FUEL | TOTAL FRANCE (FR) | 2007-07-05 | — | — | WO | disclosed |
| WO-2007045573-A1 | PHENYL-ACETAMIDE NNRT INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 2007-04-26 | — | — | WO | disclosed |
| US-20070088053-A1 | Non-nucleoside reverse transcriptase inhibitors | ROCHE PALO ALTO LLC | 2007-04-19 | — | — | US | disclosed |