⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1413545 | 1.00 | — | — | |
| SCHEMBL1413430 | 1.00 | — | — | |
| SCHEMBL862022 | 1.00 | — | — | |
| SCHEMBL1413541 | 1.00 | — | — | |
| SCHEMBL3975908 | 1.00 | — | — | |
| SCHEMBL1413431 | 1.00 | — | — | |
| SCHEMBL2034456 | 0.97 | CA1 (0.50) | — | |
| SCHEMBL2034544 | 0.97 | CA1 (0.50) | — | |
| SCHEMBL2034453 | 0.97 | CA1 (0.50) | — | |
| Hydrochloric Acid SCHEMBL3853134 | 0.97 | CA1 (0.50) | — |
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-1583742-A1 | NOVEL CB 1 RECEPTOUR INVERSE AGONISTS | F. HOFFMANN-LA ROCHE AG (CH) | 2005-10-12 | — | — | EP | disclosed |
| WO-2004060870-A1 | NOVEL CB 1 RECEPTOUR INVERSE AGONISTS | F. HOFFMANN-LA ROCHE AG (CH) | 2004-07-22 | — | — | WO | disclosed |