⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4862709 | 0.74 | — | — | |
| SCHEMBL1832960 | 0.71 | — | — | |
| SCHEMBL891919 | 0.60 | — | — | |
| SCHEMBL811992 | 0.52 | — | — | |
| SCHEMBL2006409 | 0.51 | — | — | |
| SCHEMBL25298185 | 0.48 | SLC6A12 (0.35) | — | |
| SCHEMBL2154598 | 0.47 | ALDH1A1 (0.39) | — | |
| SCHEMBL16911054 | 0.46 | — | — | |
| SCHEMBL2006509 | 0.45 | HSD17B10 (0.31) | — | |
| Methylene Chloride SCHEMBL28107108 | 0.44 | ALDH1A1 (0.67) | — |
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-8041126-A | — | — | None | — | — | JP | disclosed |
| JP-H0841126-A | POLYMERIZABLE COMPOSITION CONTAINING ORGANOSULFUR COMPOUND | MITSUBISHI CHEM CORP | 1996-02-13 | — | — | JP | disclosed |