⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22350960 | 1.00 | — | — | |
| SCHEMBL10112578 | 0.76 | ALDH1A1 (0.35) | — | |
| SCHEMBL18636152 | 0.72 | — | — | |
| SCHEMBL14775228 | 0.67 | ALDH1A1 (0.42) | — | |
| SCHEMBL7584400 | 0.65 | — | — | |
| SCHEMBL14516065 | 0.65 | — | — | |
| SCHEMBL7584403 | 0.65 | — | — | |
| SCHEMBL14775227 | 0.65 | ALDH1A1 (0.40) | — | |
| SCHEMBL20387737 | 0.63 | ALDH1A1 (0.32) | — | |
| SCHEMBL8546157 | 0.63 | — | — |
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-2017042114-A1 | BRIDGED PIPERIDINE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2017-03-16 | — | — | WO | disclosed |