⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11035269 | 1.00 | — | — | |
| SCHEMBL7783175 | 0.83 | — | — | |
| SCHEMBL6866305 | 0.79 | TP53 (0.38) | — | |
| SCHEMBL269622 | 0.79 | CYP3A4 (0.38) | — | |
| SCHEMBL7306106 | 0.79 | — | — | |
| SCHEMBL759100 | 0.79 | — | — | |
| SCHEMBL1635172 | 0.77 | PGK1 (0.48) | — | |
| SCHEMBL11756337 | 0.77 | PGK1 (0.48) | — | |
| SCHEMBL9257926 | 0.77 | — | — | |
| SCHEMBL4761816 | 0.77 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-58152850-A | — | — | None | — | — | JP | disclosed |
| WO-2021060336-A1 | NOVEL CROSSLINKED ALGINIC ACID STRUCTURE | 持田製薬株式会社 | 2021-04-01 | — | — | WO | disclosed |
| JP-S58152850-A | DECAPEPTIDE | EISAI CO LTD | 1983-09-10 | — | — | JP | disclosed |