⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL904038 | 0.97 | EPHX1 (0.56) | — | |
| SCHEMBL21912822 | 0.88 | — | — | |
| SCHEMBL9717438 | 0.74 | EPHX1 (0.62) | — | |
| SCHEMBL11834390 | 0.72 | EPHX1 (0.40) | — | |
| SCHEMBL11698385 | 0.72 | — | — | |
| SCHEMBL1088601 | 0.71 | EPHX1 (0.94) | — | |
| SCHEMBL6447100 | 0.70 | EPHX1 (0.39) | — | |
| SCHEMBL13619070 | 0.70 | SHBG (0.56) | — | |
| SCHEMBL4609721 | 0.69 | — | — | |
| SCHEMBL4379254 | 0.69 | EPHX1 (0.62) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20230115413-A1 | Use of Thiol Compounds to Treat Neurological Disease | ZANKEL, TODD C, MR | 2023-04-13 | — | — | US | disclosed |
| US-20210069129-A1 | Use of Thiol Compounds to Treat Neurological Disease | ZANKEL, TODD C, MR | 2021-03-11 | — | — | US | disclosed |