⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL668390 | 0.74 | ACHE (0.36) | — | |
| SCHEMBL2820232 | 0.73 | — | — | |
| Hydrochloric Acid SCHEMBL668528 | 0.72 | — | — | |
| SCHEMBL2820671 | 0.72 | OTUD7B (0.35) | — | |
| SCHEMBL2819424 | 0.71 | KCNH2 (0.36) | — | |
| SCHEMBL2818737 | 0.71 | ROCK1 (0.33) | — | |
| SCHEMBL2819756 | 0.71 | CHRM2 (0.33) | — | |
| SCHEMBL2820263 | 0.71 | SLC6A2 (0.31) | — | |
| SCHEMBL2819722 | 0.70 | — | — | |
| SCHEMBL13089333 | 0.70 | CYP1A2 (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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1922320-B1 | DERIVATIVES OF 5-PYRIDAZINYL-1-AZABICYCLO[3.2.1]OCTANE, PREPARATION METHOD THEREOF AND USE OF SAME IN THERAPEUTICS | SANOFI AVENTIS (FR) | 2010-10-27 | — | — | EP | claimed |