⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22436137 | 1.00 | — | — | |
| SCHEMBL421836 | 1.00 | — | — | |
| SCHEMBL800667 | 0.89 | NOS2 (0.43) | — | |
| SCHEMBL801077 | 0.89 | NOS2 (0.43) | — | |
| SCHEMBL14443285 | 0.89 | NOS2 (0.43) | — | |
| SCHEMBL420953 | 0.87 | FDPS (0.38) | — | |
| SCHEMBL420946 | 0.87 | FDPS (0.38) | — | |
| SCHEMBL26780565 | 0.87 | FDPS (0.38) | — | |
| SCHEMBL21099818 | 0.83 | CYP1A2 (0.31) | — | |
| SCHEMBL8387844 | 0.79 | — | — |
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-20210236470-A1 | PRODRUGS OF RILUZOLE AND THEIR METHOD OF USE | BIOHAVEN PHARMACEUTICAL HOLDING COMPANY LTD. | 2021-08-05 | — | — | US | disclosed |