⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8959106 | 0.70 | — | — | |
| SCHEMBL9614821 | 0.67 | POLB (0.30) | — | |
| SCHEMBL14935747 | 0.67 | — | — | |
| SCHEMBL4580842 | 0.67 | — | — | |
| SCHEMBL14912856 | 0.67 | — | — | |
| SCHEMBL25450601 | 0.65 | — | — | |
| SCHEMBL7286124 | 0.64 | TSHR (0.43) | — | |
| SCHEMBL4502031 | 0.64 | — | — | |
| SCHEMBL7286381 | 0.63 | ADRA1A (0.47) | — | |
| SCHEMBL11185710 | 0.62 | — | — |
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-2001022919-A2 | SPIRO[BICYCLIC -AZACYCLOALKYL AND -CYCLOALKYL] DERIVATIVES AND USES THEREOF | MERCK & CO., INC. (US) | 2001-04-05 | — | — | WO | disclosed |