⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1134361 | 1.00 | — | — | |
| SCHEMBL1134460 | 1.00 | — | — | |
| SCHEMBL13622795 | 0.88 | HTR2A (0.34) | — | |
| SCHEMBL1134562 | 0.83 | BCHE (0.31) | — | |
| SCHEMBL1134563 | 0.83 | BCHE (0.31) | — | |
| SCHEMBL13618239 | 0.83 | BCHE (0.31) | — | |
| SCHEMBL1134564 | 0.83 | BCHE (0.31) | — | |
| SCHEMBL13622797 | 0.78 | HTR2A (0.34) | — | |
| SCHEMBL1134576 | 0.78 | — | — | |
| SCHEMBL1134575 | 0.78 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20090275574-A1 | NOVEL COMPOUNDS-300 | ASTRAZENECA AB (SE) | 2009-11-05 | — | — | US | disclosed |
| US-20090275574-A1 | NOVEL COMPOUNDS-300 | ASTRAZENECA AB (SE) | 2009-11-05 | — | — | US | disclosed |