⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6254087 | 0.83 | — | — | |
| SCHEMBL10500392 | 0.79 | — | — | |
| SCHEMBL28815662 | 0.69 | CHRNB2 (0.35) | — | |
| SCHEMBL643454 | 0.69 | — | — | |
| SCHEMBL1083229 | 0.69 | — | — | |
| SCHEMBL3415648 | 0.67 | — | — | |
| SCHEMBL253199 | 0.67 | — | — | |
| SCHEMBL1352110 | 0.67 | TSHR (0.34) | — | |
| SCHEMBL156789 | 0.67 | TSHR (0.34) | — | |
| SCHEMBL1082672 | 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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-61040246-A | — | — | None | — | — | JP | disclosed |
| JP-5201931-A | — | — | None | — | — | JP | disclosed |
| JP-H05201931-A | PRODUCTION OF IODINE COMPOUND | TAKEDA CHEM IND LTD | 1993-08-10 | — | — | JP | disclosed |
| JP-S6140246-A | PRODUCTION OF IODIDE | TAKEDA CHEM IND LTD | 1986-02-26 | — | — | JP | disclosed |