⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28693433 | 0.79 | — | — | |
| SCHEMBL6297344 | 0.76 | — | — | |
| SCHEMBL2253592 | 0.76 | — | — | |
| SCHEMBL18112669 | 0.65 | — | — | |
| SCHEMBL28425540 | 0.58 | — | — | |
| SCHEMBL6754803 | 0.56 | POLB (0.30) | — | |
| SCHEMBL3684282 | 0.56 | — | — | |
| SCHEMBL10964925 | 0.55 | — | — | |
| SCHEMBL29050085 | 0.54 | — | — | |
| SCHEMBL322429 | 0.54 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7906540-B2 | Antivirals for HIV and AIDS; compounds are 2-1,2,4-triazolin-5-ones, substituted with aryl(oxy)methyl or benzylamino at position 3; use in combination with antivirals; treating drug resistance infections | ROCHE PALO ALTO LLC (US) | 2011-03-15 | — | — | US | disclosed |
| US-20080293664-A1 | Non-nucleoside reverse transcriptase inhibitors | ROCHE PALO ALTO LLC | 2008-11-27 | — | — | US | disclosed |
| US-20080249151-A1 | Non-nucleoside reverse transcriptase inhibitors | ROCHE PALO ALTO LLC | 2008-10-09 | — | — | US | disclosed |