⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11374297 | 0.82 | — | — | |
| SCHEMBL12331173 | 0.74 | — | — | |
| SCHEMBL92892 | 0.73 | — | — | |
| SCHEMBL9765841 | 0.72 | — | — | |
| SCHEMBL25789559 | 0.72 | — | — | |
| SCHEMBL15569574 | 0.72 | — | — | |
| SCHEMBL30896661 | 0.70 | KDM4E (0.42) | — | |
| SCHEMBL1149141 | 0.70 | KDM4E (0.42) | — | |
| Ammonia Solution, Strong SCHEMBL31591123 | 0.70 | — | — | |
| SCHEMBL2446519 | 0.70 | — | — |
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-9944607-B2 | Thiohydantoin derivatives and uses thereof | WHITEHEAD INSTITUTE FOR BIOMEDICAL RESEARCH (US) | 2018-04-17 | — | — | US | disclosed |