⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10850454 | 0.83 | DAO (0.46) | — | |
| SCHEMBL28404482 | 0.74 | LMNA (0.36) | — | |
| SCHEMBL9522589 | 0.69 | ALDH1A1 (0.32) | — | |
| SCHEMBL25270483 | 0.69 | — | — | |
| SCHEMBL265211 | 0.69 | — | — | |
| SCHEMBL523944 | 0.69 | — | — | |
| SCHEMBL10259254 | 0.69 | — | — | |
| SCHEMBL12862602 | 0.68 | TSHR (1.00) | — | |
| Hydrochloric Acid SCHEMBL2897569 | 0.67 | — | — | |
| SCHEMBL24417341 | 0.65 | GLA (0.55) | — |
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-7947709-B2 | Inhibit HIV-1 RT; 3-[6-Bromo-2-fluoro-3-(2-oxo-2,3-dihydro-benzoimidazol-1-ylmethyl)-phenoxy]-5-chloro-benzonitrile for example; AIDS or AIDS-related Complex (ARC) | ROCHE PALO ALTO LLC (US) | 2011-05-24 | — | — | US | disclosed |
| EP-2170836-A1 | UREA AND CARBAMATE DERIVATIVES AS NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS | F. Hoffmann-Roche AG (CH) | 2010-04-07 | — | — | EP | disclosed |
| US-20090012034-A1 | Non-Nucleoside reverse transcriptase inhibitors | ROCHE PALO ALTO LLC | 2009-01-08 | — | — | US | disclosed |
| WO-2009000663-A1 | UREA AND CARBAMATE DERIVATIVES AS NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 2008-12-31 | — | — | WO | disclosed |