⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3063399 | 0.91 | — | — | |
| SCHEMBL6287135 | 0.75 | ALDH1A1 (0.32) | — | |
| SCHEMBL4874806 | 0.71 | — | — | |
| SCHEMBL19473674 | 0.67 | TAS2R38 (0.35) | — | |
| SCHEMBL48252 | 0.67 | TAS2R38 (0.44) | — | |
| SCHEMBL21641671 | 0.67 | — | — | |
| SCHEMBL25424742 | 0.66 | — | — | |
| Water SCHEMBL16026411 | 0.65 | TAS2R38 (0.41) | — | |
| Ethane SCHEMBL11763519 | 0.65 | TAS2R38 (0.41) | — | |
| Water SCHEMBL22229904 | 0.65 | TAS2R38 (0.41) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-110683975-B | Synthesis method of dialkyl amino alkyl dithioformate | 成都理工大学 | 2021-04-09 | — | — | CN | claimed |
| CN-110683975-A | Synthesis method of dialkyl amino alkyl dithioformate | 成都理工大学 | 2020-01-14 | — | — | CN | claimed |
| CN-108137608-B | Janus kinase 1 selective inhibitor and pharmaceutical application thereof | 阳智化学（株） | 2020-06-19 | — | — | CN | disclosed |