⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22101685 | 0.89 | CES2 (0.36) | — | |
| SCHEMBL22101585 | 0.81 | METTL3 (0.34) | — | |
| SCHEMBL22101576 | 0.79 | LMNA (0.39) | — | |
| SCHEMBL22101613 | 0.79 | ESR1 (0.33) | — | |
| SCHEMBL22101610 | 0.79 | ALDH1A1 (0.34) | — | |
| SCHEMBL22101951 | 0.79 | — | — | |
| SCHEMBL22101983 | 0.78 | CYP19A1 (0.35) | — | |
| SCHEMBL22101577 | 0.78 | ADRA2A (0.33) | — | |
| SCHEMBL22101668 | 0.78 | TSHR (0.39) | — | |
| SCHEMBL22101956 | 0.77 | GAA (0.37) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20230172977-A1 | THERAPEUTIC METAL COMPLEXES AND LIGANDS AND METHODS OF MAKING AND USING THE SAME | OREGON STATE UNIVERSITY (US) | 2023-06-08 | — | — | US | disclosed |
| US-20200188430-A1 | THERAPEUTIC METAL COMPLEXES AND LIGANDS AND METHODS OF MAKING AND USING THE SAME | OREGON STATE UNIVERSITY (US) | 2020-06-18 | — | — | US | disclosed |