⚠ 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 | |
|---|---|---|---|---|
| Thiohydantoin SCHEMBL31955553 | 0.85 | — | — | |
| Thiohydantoin SCHEMBL3520254 | 0.85 | — | — | |
| Thiohydantoin SCHEMBL27396584 | 0.81 | MAPT (0.33) | — | |
| Thiohydantoin SCHEMBL28357993 | 0.81 | GSK3A (0.31) | — | |
| Hydantoin SCHEMBL5656545 | 0.79 | CRBN (0.41) | — | |
| Thiohydantoin SCHEMBL27996535 | 0.75 | FFAR3 (0.39) | — | |
| Biphenyl SCHEMBL27404603 | 0.72 | SIRT2 (0.42) | — | |
| Thiohydantoin SCHEMBL8760331 | 0.69 | TP53 (0.31) | — | |
| Thiohydantoin SCHEMBL5450565 | 0.69 | ALDH1A1 (0.46) | — | |
| Thiohydantoin SCHEMBL8760334 | 0.67 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2336783-A1 | C-terminal sequencing of amino acids | BASF SE (DE) | 2011-06-22 | — | — | EP | disclosed |