⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1984720 | 0.89 | — | — | |
| SCHEMBL157906 | 0.89 | — | — | |
| SCHEMBL28273259 | 0.89 | — | — | |
| Water SCHEMBL7048767 | 0.80 | — | — | |
| SCHEMBL3903516 | 0.80 | — | — | |
| SCHEMBL27856684 | 0.80 | — | — | |
| SCHEMBL28770639 | 0.80 | — | — | |
| SCHEMBL27894207 | 0.80 | — | — | |
| SCHEMBL11323442 | 0.78 | — | — | |
| SCHEMBL15399 | 0.78 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109750337-A | Aluminum alloy materials and its manufacturing method | M-TECH株式会社 | 2019-05-14 | — | — | CN | disclosed |