⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8901720 | 0.81 | DNMT3B (0.32) | — | |
| SCHEMBL9755785 | 0.74 | — | — | |
| SCHEMBL8901724 | 0.72 | MIF (0.33) | — | |
| SCHEMBL8900585 | 0.69 | — | — | |
| SCHEMBL8527887 | 0.68 | — | — | |
| SCHEMBL27354248 | 0.67 | SMN1; SMN2 (0.34) | — | |
| SCHEMBL8900793 | 0.67 | AKT1 (0.34) | — | |
| SCHEMBL9755768 | 0.65 | ADRA1A (0.40) | — | |
| SCHEMBL8901716 | 0.62 | MIF (0.35) | — | |
| SCHEMBL8903142 | 0.62 | IDO1 (0.33) | — |
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-1991019725-A2 | HETEROCYCLIC ANTHRACYCLIONE AND ANTHRACYCLINE ANALOGS | BIOCHEM PHARMA INC. (CA) | 1991-12-26 | — | — | WO | disclosed |