⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL30840114 | 0.78 | CYP4F2 (0.33) | — | |
| SCHEMBL23539423 | 0.76 | — | — | |
| SCHEMBL3346627 | 0.74 | — | — | |
| SCHEMBL334934 | 0.72 | DUT (0.38) | — | |
| SCHEMBL4053298 | 0.71 | — | — | |
| SCHEMBL7539972 | 0.71 | DUT (0.37) | — | |
| SCHEMBL10930589 | 0.71 | DUT (0.37) | — | |
| SCHEMBL200311 | 0.71 | DUT (0.37) | — | |
| SCHEMBL25304378 | 0.71 | DUT (0.37) | — | |
| SCHEMBL1143253 | 0.71 | DUT (0.37) | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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 |
| US-8513234-B2 | HIV integrase inhibitors | MERCK SHARP & DOHME CORP. (US) | 2013-08-20 | — | — | US | disclosed |
| US-8513234-B2 | HIV integrase inhibitors | MERCK SHARP & DOHME CORP. (US) | 2013-08-20 | — | — | US | disclosed |
| WO-2010042391-A2 | HIV INTEGRASE INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2010-04-15 | — | — | WO | disclosed |
| US-20100087419-A1 | HIV INTEGRASE INHIBITORS | MERCK SHARP & DOHME LLC | 2010-04-08 | — | — | US | disclosed |
| US-20100087419-A1 | HIV INTEGRASE INHIBITORS | MERCK SHARP & DOHME LLC | 2010-04-08 | — | — | US | disclosed |