⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18483159 | 1.00 | — | — | |
| SCHEMBL13158312 | 0.78 | — | — | |
| SCHEMBL15909554 | 0.78 | — | — | |
| SCHEMBL15428478 | 0.78 | — | — | |
| Hydrochloric Acid SCHEMBL25384535 | 0.76 | — | — | |
| Hydrochloric Acid SCHEMBL9277699 | 0.76 | — | — | |
| SCHEMBL2199487 | 0.74 | PKM (0.35) | — | |
| SCHEMBL28437217 | 0.72 | — | — | |
| SCHEMBL22082541 | 0.72 | — | — | |
| SCHEMBL5314812 | 0.72 | — | — |
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-2020206000-A1 | BIVALENT ANTAGONISTS OF INHIBITORS OF APOPTOSIS PROTEINS | Hepagene Therapeutics (HK) Limited (CN) | 2020-10-08 | — | — | WO | disclosed |