⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20124403 | 0.74 | — | — | |
| SCHEMBL24743213 | 0.74 | — | — | |
| SCHEMBL8555268 | 0.72 | — | — | |
| SCHEMBL16311694 | 0.72 | — | — | |
| SCHEMBL23252957 | 0.72 | TAAR1 (0.30) | — | |
| SCHEMBL22984576 | 0.72 | — | — | |
| SCHEMBL19451503 | 0.72 | — | — | |
| SCHEMBL21444357 | 0.72 | CA12 (0.32) | — | |
| SCHEMBL24410033 | 0.70 | GRN (0.30) | — | |
| SCHEMBL22393661 | 0.70 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2687854-A1 | Test kit for the quantitative determination of narcotic drugs | Chiron AS (NO) | 2014-01-22 | — | — | EP | disclosed |