⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL238978 | 0.64 | — | — | |
| SCHEMBL6311512 | 0.64 | — | — | |
| SCHEMBL1358657 | 0.63 | ALDH1A1 (0.34) | — | |
| SCHEMBL7834163 | 0.62 | TSHR (0.33) | — | |
| SCHEMBL9596829 | 0.62 | ALDH1A1 (0.33) | — | |
| SCHEMBL12654511 | 0.62 | TRPA1 (0.45) | — | |
| SCHEMBL17111391 | 0.62 | — | — | |
| SCHEMBL21408683 | 0.61 | TLR4 (0.35) | — | |
| SCHEMBL21408492 | 0.61 | TLR4 (0.35) | — | |
| SCHEMBL29501693 | 0.61 | TLR4 (0.35) | — |
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-2000021934-A1 | COMPOUNDS | ASTRAZENECA AB (SE) | 2000-04-20 | — | — | WO | disclosed |