⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1327389 | 0.69 | CA12 (0.33) | — | |
| SCHEMBL9936884 | 0.63 | — | — | |
| SCHEMBL1326949 | 0.61 | — | — | |
| SCHEMBL3203938 | 0.60 | — | — | |
| SCHEMBL3203936 | 0.60 | — | — | |
| SCHEMBL3509447 | 0.59 | — | — | |
| SCHEMBL28658792 | 0.57 | CA2 (0.42) | — | |
| SCHEMBL29757278 | 0.56 | KDM4E (0.36) | — | |
| SCHEMBL9384925 | 0.56 | — | — | |
| SCHEMBL2236497 | 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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2349276-A2 | HIV INTEGRASE INHIBITORS | Merck Sharp & Dohme Corp. (US) | 2011-08-03 | — | — | EP | claimed |
| WO-2010042392-A2 | HIV INTEGRASE INHIBITORS | MERCK & CO., INC. (US) | 2010-04-15 | — | — | WO | claimed |
| US-20100087419-A1 | HIV INTEGRASE INHIBITORS | MERCK SHARP & DOHME LLC | 2010-04-08 | — | — | US | claimed |
| US-20130338141-A1 | HIV INTEGRASE INHIBITORS | ISAACS RICHARD C (US) | 2013-12-19 | — | — | US | disclosed |
| US-8513234-B2 | HIV integrase inhibitors | MERCK SHARP & DOHME CORP. (US) | 2013-08-20 | — | — | US | disclosed |
| EP-2349276-A2 | HIV INTEGRASE INHIBITORS | Merck Sharp & Dohme Corp. (US) | 2011-08-03 | — | — | EP | disclosed |
| WO-2010042392-A2 | HIV INTEGRASE INHIBITORS | MERCK & CO., INC. (US) | 2010-04-15 | — | — | WO | disclosed |
| US-20100087419-A1 | HIV INTEGRASE INHIBITORS | MERCK SHARP & DOHME LLC | 2010-04-08 | — | — | US | disclosed |