⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22307602 | 1.00 | — | — | |
| SCHEMBL3265296 | 1.00 | — | — | |
| Hydrochloric Acid SCHEMBL28684997 | 0.97 | — | — | |
| Ammonia Solution, Strong SCHEMBL29237037 | 0.97 | — | — | |
| Hydrochloric Acid SCHEMBL28618852 | 0.95 | ALDH1A1 (0.33) | — | |
| Hydrochloric Acid SCHEMBL28706705 | 0.95 | ALDH1A1 (0.33) | — | |
| SCHEMBL28700112 | 0.87 | ALDH1A1 (0.33) | — | |
| SCHEMBL1709355 | 0.84 | — | — | |
| SCHEMBL154109 | 0.84 | — | — | |
| SCHEMBL1709350 | 0.84 | — | — |
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-2023150394-A1 | METHODS FOR TREATMENT OF CANCER | FRONTIER MEDICINES CORPORATION (US) | 2023-08-10 | — | — | WO | disclosed |