⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23735864 | 1.00 | — | — | |
| SCHEMBL25487588 | 0.84 | — | — | |
| SCHEMBL25644161 | 0.81 | — | — | |
| SCHEMBL20646769 | 0.77 | — | — | |
| SCHEMBL24450623 | 0.75 | — | — | |
| SCHEMBL23735877 | 0.72 | — | — | |
| SCHEMBL13699496 | 0.72 | GABRR1 (0.39) | — | |
| SCHEMBL18811783 | 0.72 | — | — | |
| SCHEMBL27017091 | 0.69 | — | — | |
| SCHEMBL20315044 | 0.68 | GABRR1 (0.33) | — |
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 |