⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2290386 | 0.95 | EPHX1 (0.43) | — | |
| SCHEMBL5163942 | 0.84 | EPHX1 (0.50) | — | |
| SCHEMBL698654 | 0.80 | — | — | |
| SCHEMBL982024 | 0.78 | EPHX1 (0.56) | — | |
| SCHEMBL11589654 | 0.76 | EPHX1 (0.60) | — | |
| SCHEMBL13387598 | 0.76 | EPHX1 (0.60) | — | |
| SCHEMBL8991654 | 0.76 | EPHX1 (0.60) | — | |
| SCHEMBL8426647 | 0.76 | EPHX1 (0.60) | — | |
| SCHEMBL984315 | 0.76 | EPHX1 (0.60) | — | |
| SCHEMBL37472 | 0.76 | EPHX1 (0.60) | — |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8008287-B2 | Use treating HIV and AIDS; tricyclic compounds such as those based on 5-sulfonamido-9-hydroxy-6,8-dihydrdo-7H-pyrrolo[3,4-g]quinoline-8-one | GILEAD SCIENCES, INC. (US) | 2011-08-30 | — | — | US | disclosed |
| US-20090306054-A1 | INTEGRASE INHIBITORS | GILEAD SCIENCES ,INC. (US) | 2009-12-10 | — | — | US | disclosed |
| US-20090291921-A1 | INTEGRASE INHIBITORS | GILEAD SCIENCES, INC. (US) | 2009-11-26 | — | — | US | disclosed |
| EP-2066670-A2 | INTEGRASE INHIBITORS | GILEAD SCIENCES, INC. (US) | 2009-06-10 | — | — | EP | disclosed |
| WO-2009067541-A2 | INTEGRASE INHIBITORS | GILEAD SCIENCES, INC. (US) | 2009-05-28 | — | — | WO | disclosed |
| US-20080058315-A1 | Integrase inhibitors | GILEAD SCIENCES, INC. | 2008-03-06 | — | — | US | disclosed |
| EP-1888581-A2 | HIV-INTEGRASE INHIBITOR COMPOUNDS | GILEAD SCIENCES, INC. (US) | 2008-02-20 | — | — | EP | disclosed |
| WO-2007136714-A2 | INTEGRASE INHIBITORS | GILEAD SCIENCES, INC. (US) | 2007-11-29 | — | — | WO | disclosed |
| US-20070072831-A1 | Integrase inhibitor compounds | GILEAD SCIENCES, INC. | 2007-03-29 | — | — | US | disclosed |
| WO-2006125048-A2 | HIV-INTEGRASE INHIBITOR COMPOUNDS | GILEAD SCIENCES, INC. (US) | 2006-11-23 | — | — | WO | disclosed |