⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2566688 | 0.92 | — | — | |
| SCHEMBL1858634 | 0.90 | TSHR (0.42) | — | |
| SCHEMBL3613683 | 0.86 | — | — | |
| SCHEMBL3905502 | 0.86 | — | — | |
| SCHEMBL6137524 | 0.79 | MAPT (0.44) | — | |
| SCHEMBL6137517 | 0.79 | MAPT (0.44) | — | |
| SCHEMBL6137511 | 0.79 | MAPT (0.44) | — | |
| SCHEMBL746872 | 0.78 | — | — | |
| SCHEMBL127102 | 0.77 | — | — | |
| SCHEMBL11070616 | 0.77 | TSHR (0.50) | — |
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-10276792-A | — | — | None | — | — | JP | disclosed |
| JP-H10276792-A | PRODUCTION OF HYDROXYCARBOXYLIC ACID AND ITS AMIDE | NITTO CHEM IND CO LTD | 1998-10-20 | — | — | JP | disclosed |