⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18899645 | 0.79 | — | — | |
| SCHEMBL18389130 | 0.79 | ALDH1A1 (0.38) | — | |
| SCHEMBL21028259 | 0.77 | — | — | |
| SCHEMBL24802083 | 0.77 | — | — | |
| SCHEMBL22809755 | 0.77 | — | — | |
| SCHEMBL20467522 | 0.73 | — | — | |
| SCHEMBL18899601 | 0.71 | — | — | |
| SCHEMBL5894439 | 0.71 | — | — | |
| SCHEMBL4550215 | 0.71 | — | — | |
| SCHEMBL5894445 | 0.71 | — | — |
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-8999977-B2 | Bridged heterocyclic compounds and methods of use | MEDIVATION TECHNOLOGIES, INC. (US) | 2015-04-07 | — | — | US | disclosed |