⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5665192 | 0.81 | — | — | |
| Sulfuric Acid SCHEMBL28780622 | 0.79 | ALDH1A1 (0.46) | — | |
| SCHEMBL28810241 | 0.75 | ALDH1A1 (0.53) | — | |
| SCHEMBL15859 | 0.75 | TDP1 (0.75) | — | |
| SCHEMBL16226308 | 0.73 | — | — | |
| SCHEMBL48440 | 0.73 | — | — | |
| SCHEMBL26967080 | 0.73 | TDP1 (0.71) | — | |
| Ammonia Solution, Strong SCHEMBL7104676 | 0.73 | TDP1 (0.71) | — | |
| SCHEMBL5131831 | 0.73 | TDP1 (0.71) | — | |
| SCHEMBL5129514 | 0.73 | TDP1 (0.71) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-109793893-B | VISTA modulators for diagnosis and treatment of cancer | 达特茅斯大学理事会 | 2023-05-26 | — | — | CN | disclosed |