⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3884707 | 0.79 | TDP1 (0.53) | — | |
| SCHEMBL2085135 | 0.69 | TDP1 (1.00) | — | |
| SCHEMBL518737 | 0.69 | TDP1 (0.60) | — | |
| SCHEMBL5028587 | 0.69 | TDP1 (1.00) | — | |
| SCHEMBL101 | 0.69 | TDP1 (1.00) | — | |
| Benzene SCHEMBL6890099 | 0.69 | TDP1 (1.00) | — | |
| SCHEMBL25384985 | 0.67 | TDP1 (0.92) | — | |
| SCHEMBL20582981 | 0.67 | TDP1 (0.92) | — | |
| Bromide SCHEMBL1409549 | 0.67 | TDP1 (0.92) | — | |
| SCHEMBL22558063 | 0.67 | TDP1 (0.92) | — |
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 |
|---|---|---|---|---|---|---|---|
| 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 |