⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL672364 | 0.73 | — | — | |
| SCHEMBL214833 | 0.72 | — | — | |
| Methane SCHEMBL9705790 | 0.69 | — | — | |
| SCHEMBL3362081 | 0.67 | ALDH1A1 (0.31) | — | |
| SCHEMBL3363183 | 0.67 | — | — | |
| SCHEMBL7650352 | 0.67 | — | — | |
| SCHEMBL1582044 | 0.67 | — | — | |
| SCHEMBL1835936 | 0.67 | — | — | |
| SCHEMBL20535717 | 0.67 | — | — | |
| SCHEMBL3625276 | 0.67 | ALDH1A1 (0.31) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1620445-A2 | METHOD AND COMPOSITIONS FOR IDENTIFYING ANTI-HIV THERAPEUTIC COMPOUNDS | GILEAD SCIENCES, INC. (US) | 2006-02-01 | — | — | EP | disclosed |
| WO-2004096818-A2 | METHOD AND COMPOSITIONS FOR IDENTIFYING ANTI-HIV THERAPEUTIC COMPOUNDS | GILEAD SCIENCES, INC. (US) | 2004-11-11 | — | — | WO | disclosed |