⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15899268 | 0.43 | — | — | |
| SCHEMBL8371893 | 0.43 | MEN1 (0.32) | — | |
| SCHEMBL8176504 | 0.38 | MEN1 (0.43) | — | |
| SCHEMBL1766554 | 0.38 | — | — | |
| SCHEMBL5488795 | 0.36 | — | — | |
| SCHEMBL461292 | 0.35 | — | — | |
| Calcium Chloride SCHEMBL29183947 | 0.35 | — | — | |
| Calcium Chloride SCHEMBL5381230 | 0.34 | — | — | |
| Iodide SCHEMBL19755 | 0.32 | — | — | |
| Iodide SCHEMBL8080327 | 0.32 | CA4 (0.33) | — |
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-5117225-A | — | — | None | — | — | JP | disclosed |
| JP-H05117225-A | PRODUCTION OF O-BENZENEDITHIOL COMPOUND | MITSUI TOATSU CHEM INC | 1993-05-14 | — | — | JP | disclosed |