⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8205473 | 0.95 | — | — | |
| SCHEMBL9700888 | 0.76 | — | — | |
| SCHEMBL7961659 | 0.73 | — | — | |
| SCHEMBL29056454 | 0.70 | ALDH1A1 (0.36) | — | |
| SCHEMBL6746591 | 0.67 | — | — | |
| Iodide SCHEMBL8756258 | 0.64 | — | — | |
| Thiocyanic Acid SCHEMBL27524954 | 0.63 | — | — | |
| SCHEMBL19253567 | 0.56 | ALDH1A1 (0.42) | — | |
| Water SCHEMBL28750808 | 0.56 | ALDH1A1 (0.42) | — | |
| Thiocyanic Acid SCHEMBL9001587 | 0.56 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-107810178-B | Method for producing 3-mercaptopropionic acid, and method for producing carboxylate compound having mercapto group and thiourethane optical material using the same | 可奥熙搜路司有限公司 | 2020-04-28 | — | — | CN | disclosed |