⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL391111 | 0.78 | — | — | |
| SCHEMBL14557020 | 0.76 | — | — | |
| SCHEMBL14112926 | 0.76 | — | — | |
| SCHEMBL13865681 | 0.76 | — | — | |
| SCHEMBL12716531 | 0.74 | PKM (0.31) | — | |
| SCHEMBL9176037 | 0.73 | — | — | |
| SCHEMBL4388847 | 0.71 | ALDH1A1 (0.41) | — | |
| SCHEMBL11469968 | 0.70 | — | — | |
| SCHEMBL16312316 | 0.67 | CYP1A2 (0.35) | — | |
| SCHEMBL14557030 | 0.66 | — | — |
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-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-20080249151-A1 | Non-nucleoside reverse transcriptase inhibitors | ROCHE PALO ALTO LLC | 2008-10-09 | — | — | US | disclosed |