⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3606058 | 0.84 | CNR1 (0.35) | — | |
| SCHEMBL4590519 | 0.83 | CNR1 (0.39) | — | |
| SCHEMBL3618035 | 0.70 | KCNH2 (0.35) | — | |
| SCHEMBL3615607 | 0.70 | KCNH2 (0.35) | — | |
| SCHEMBL20549317 | 0.63 | KCNH2 (0.57) | — | |
| SCHEMBL4590241 | 0.63 | CNR1 (0.33) | — | |
| SCHEMBL21959770 | 0.62 | NQO2 (0.49) | — | |
| SCHEMBL3652885 | 0.62 | KCNH2 (0.31) | — | |
| SCHEMBL19179782 | 0.62 | KCNH2 (0.43) | — | |
| SCHEMBL20990414 | 0.61 | NQO2 (0.47) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2008120003-A1 | SUBSTITUTED PIPERIDINES FOR USE IN THE TREATMENT OF BACTERIAL INFECTIONS | ASTRAZENECA AB (SE) | 2008-10-09 | — | — | WO | disclosed |