⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11100230 | 0.76 | — | — | |
| SCHEMBL11126982 | 0.76 | — | — | |
| SCHEMBL6505895 | 0.74 | — | — | |
| SCHEMBL8940733 | 0.74 | FDPS (0.36) | — | |
| SCHEMBL11054555 | 0.71 | TSHR (0.32) | — | |
| SCHEMBL17138411 | 0.71 | TSHR (0.32) | — | |
| SCHEMBL9561870 | 0.71 | TSHR (0.32) | — | |
| SCHEMBL539979 | 0.69 | — | — | |
| SCHEMBL5702380 | 0.69 | TSHR (0.32) | — | |
| SCHEMBL9913337 | 0.69 | — | — |
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-116444409-A | Preparation method of thiophanate-methyl | 江苏蓝丰生物化工股份有限公司 | 2023-07-18 | — | — | CN | disclosed |