⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10253526 | 0.97 | — | — | |
| SCHEMBL13947716 | 0.90 | — | — | |
| SCHEMBL895067 | 0.83 | — | — | |
| SCHEMBL7850654 | 0.71 | — | — | |
| SCHEMBL59551 | 0.69 | — | — | |
| SCHEMBL13780064 | 0.69 | — | — | |
| SCHEMBL22093046 | 0.69 | — | — | |
| SCHEMBL464983 | 0.67 | MAPT (0.37) | — | |
| SCHEMBL442895 | 0.67 | — | — | |
| SCHEMBL28582945 | 0.67 | SMN1; SMN2 (0.30) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7476666-B2 | HIV integrase inhibitors | MERCK & CO., INC. (US) | 2009-01-13 | — | — | US | disclosed |
| US-20080015187-A1 | Hiv Integrase Inhibitors | MERCK SHARP & DOHME CORP. | 2008-01-17 | — | — | US | disclosed |
| US-6514996-B2 | Derivatives of benzofuran or benzodioxole | KYOWA HAKKO KOGYO CO., LTD. (JP) | 2003-02-04 | — | — | US | disclosed |