⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22708300 | 0.77 | NOS2 (0.33) | — | |
| SCHEMBL1043577 | 0.76 | — | — | |
| SCHEMBL14941185 | 0.74 | — | — | |
| SCHEMBL22445458 | 0.74 | — | — | |
| SCHEMBL14108168 | 0.74 | — | — | |
| SCHEMBL20168110 | 0.74 | — | — | |
| SCHEMBL24221364 | 0.74 | ALDH1A1 (0.30) | — | |
| SCHEMBL27861243 | 0.72 | MEN1 (0.38) | — | |
| SCHEMBL22298846 | 0.72 | FBP1 (0.40) | — | |
| SCHEMBL19259595 | 0.72 | NOTUM (0.41) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20050256159-A1 | 1,4-disubstituted piperidine derivatives and their use as 11,betahsd1 inhibitors | ASTRAZENECA AB (SE) | 2005-11-17 | — | — | US | disclosed |