⚠ 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 | |
|---|---|---|---|---|
| Iodide SCHEMBL27785032 | 0.94 | — | — | |
| Ethyne SCHEMBL28983398 | 0.91 | — | — | |
| Hydrazine SCHEMBL4742183 | 0.88 | AHR (0.54) | — | |
| SCHEMBL27996566 | 0.86 | AHR (0.52) | — | |
| Oxirane SCHEMBL28492261 | 0.84 | AHR (0.50) | — | |
| SCHEMBL4447113 | 0.80 | AHR (0.65) | — | |
| SCHEMBL29077450 | 0.78 | AHR (0.45) | — | |
| SCHEMBL28041001 | 0.78 | AHR (0.45) | — | |
| SCHEMBL9486784 | 0.78 | ALOX5 (0.53) | — | |
| SCHEMBL24311979 | 0.77 | ESR1 (0.58) | — |
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 14 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-118027070-A | Triazolopyridine bromodomain protein 4 small molecule inhibitor and preparation method and application thereof | 中国药科大学 | 2024-05-14 | — | — | CN | disclosed |
| US-8329755-B2 | Methods for treating retroviral infections | ROCHE PALO ALTO LLC (US) | 2012-12-11 | — | — | US | disclosed |
| US-20100041648-A1 | METHODS FOR TREATING RETROVIRAL INFECTIONS | DUNN JAMES PATRICK | 2010-02-18 | — | — | US | disclosed |
| US-7625949-B2 | Methods for treating retroviral infections | ROCHE PALO ALTO LLC (US) | 2009-12-01 | — | — | US | disclosed |
| EP-1742908-B1 | NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS | HOFFMANN LA ROCHE (CH) | 2009-11-11 | — | — | 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-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 |
| US-7166738-B2 | Non-nucleoside reverse transcriptase inhibitors | ROCHE PALO ALTO LLC (US) | 2007-01-23 | — | — | US | disclosed |
| EP-1742908-A1 | NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS | F.HOFFMANN-LA ROCHE AG (CH) | 2007-01-17 | — | — | EP | disclosed |
| WO-2005102989-A1 | NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 2005-11-03 | — | — | WO | disclosed |
| US-20050239881-A1 | Non-nucleoside reverse transcriptase inhibitors | ROCHE PALO ALTO LLC | 2005-10-27 | — | — | US | disclosed |
| US-20050239880-A1 | Methods for treating retroviral infections | ROCHE PALO ALTO LLC | 2005-10-27 | — | — | US | disclosed |