⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23426168 | 0.76 | — | — | |
| SCHEMBL13283338 | 0.76 | — | — | |
| SCHEMBL13674610 | 0.72 | — | — | |
| SCHEMBL5551385 | 0.72 | — | — | |
| SCHEMBL4909900 | 0.72 | — | — | |
| SCHEMBL12527735 | 0.72 | — | — | |
| SCHEMBL20844166 | 0.70 | — | — | |
| SCHEMBL17355146 | 0.70 | — | — | |
| SCHEMBL13772825 | 0.69 | — | — | |
| SCHEMBL14161150 | 0.67 | ALDH1A1 (0.32) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2011038164-A1 | BRIDGED HETEROCYCLIC COMPOUNDS AND METHODS OF USE | MEDIVATION TECHNOLOGIES, INC. (US) | 2011-03-31 | — | — | WO | disclosed |
| WO-2009087212-A2 | PYRIDINE DERIVATIVES | NOVARTIS AG (CH) | 2009-07-16 | — | — | WO | disclosed |