⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22056607 | 0.79 | — | — | |
| SCHEMBL669327 | 0.78 | CA2 (0.32) | — | |
| SCHEMBL22057383 | 0.76 | — | — | |
| SCHEMBL6724762 | 0.74 | — | — | |
| SCHEMBL7721596 | 0.73 | CPB2 (0.33) | — | |
| SCHEMBL28766845 | 0.70 | — | — | |
| SCHEMBL14142010 | 0.67 | KDM4E (0.31) | — | |
| SCHEMBL6728745 | 0.64 | — | — | |
| SCHEMBL21598058 | 0.59 | — | — | |
| SCHEMBL6284528 | 0.59 | — | — |
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-2019008119-A1 | TRIAZOLE DERIVATIVES USED AS A HYPOXIA IMAGING AGENT | CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) | 2019-01-10 | — | — | WO | disclosed |