⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18003233 | 0.84 | — | — | |
| SCHEMBL13919765 | 0.83 | — | — | |
| SCHEMBL11202396 | 0.76 | — | — | |
| SCHEMBL23380652 | 0.73 | — | — | |
| SCHEMBL1474968 | 0.73 | ADRA1D (0.45) | — | |
| SCHEMBL6649724 | 0.71 | ADRA1D (0.37) | — | |
| SCHEMBL2478962 | 0.69 | ADRA1D (0.38) | — | |
| SCHEMBL19219824 | 0.68 | ADRA1D (0.38) | — | |
| SCHEMBL19876963 | 0.65 | CA2 (0.39) | — | |
| SCHEMBL12434723 | 0.64 | ADRA1D (0.40) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-103889989-A | Fused heterocyclic derivative and pharmaceutical use thereof | KISSEI PHARMACEUTICAL | 2014-06-25 | — | — | CN | disclosed |