⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12661556 | 0.79 | TAAR1 (0.36) | — | |
| SCHEMBL9150878 | 0.75 | — | — | |
| SCHEMBL18911510 | 0.75 | — | — | |
| SCHEMBL152642 | 0.73 | — | — | |
| SCHEMBL879244 | 0.73 | — | — | |
| SCHEMBL879230 | 0.73 | — | — | |
| SCHEMBL439784 | 0.73 | — | — | |
| SCHEMBL26457846 | 0.73 | — | — | |
| SCHEMBL25619427 | 0.73 | KISS1R (0.32) | — | |
| SCHEMBL21843495 | 0.73 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1758585-A4 | HIV INTEGRASE INHIBITORS | MERCK & CO INC (US) | 2009-07-22 | — | — | EP | disclosed |
| EP-1758585-A2 | HIV INTEGRASE INHIBITORS | Merck & Co., Inc. (US) | 2007-03-07 | — | — | EP | disclosed |
| WO-2005120516-A2 | HIV INTEGRASE INHIBITORS | MERCK & CO., INC. (US) | 2005-12-22 | — | — | WO | disclosed |