⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17860609 | 0.76 | — | — | |
| SCHEMBL9921625 | 0.71 | — | — | |
| SCHEMBL4791939 | 0.65 | — | — | |
| SCHEMBL4455123 | 0.60 | — | — | |
| Thiourea SCHEMBL1395770 | 0.56 | NOS2 (0.36) | — | |
| Thioacetamide SCHEMBL805065 | 0.56 | — | — | |
| SCHEMBL13174894 | 0.56 | — | — | |
| Thiourea SCHEMBL50650 | 0.56 | — | — | |
| SCHEMBL15703034 | 0.56 | — | — | |
| SCHEMBL12332913 | 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-59025305-A | — | — | None | — | — | JP | disclosed |
| JP-S5925305-A | PREPARATION OF FUNGICIDAL FUMIGANT | CHUGAI PHARMACEUT CO LTD | 1984-02-09 | — | — | JP | disclosed |