⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1670761 | 1.00 | — | — | |
| SCHEMBL1670405 | 0.83 | KDM1A (0.30) | — | |
| SCHEMBL1670403 | 0.83 | KDM1A (0.30) | — | |
| SCHEMBL1672902 | 0.82 | BRD4 (0.35) | — | |
| SCHEMBL1672903 | 0.82 | BRD4 (0.35) | — | |
| SCHEMBL1672877 | 0.81 | — | — | |
| SCHEMBL1672875 | 0.81 | — | — | |
| SCHEMBL1670768 | 0.81 | — | — | |
| SCHEMBL1670609 | 0.75 | — | — | |
| SCHEMBL12988543 | 0.73 | ALOX5 (0.39) | — |
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-2011042477-A1 | SUBSTITUTED PYRROLES AND IMIDAZOLES AS ESTROGEN RECEPTOR LIGANDS | KARO BIO AB (SE) | 2011-04-14 | — | — | WO | claimed |