⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL180823 | 0.97 | — | — | |
| SCHEMBL31290754 | 0.97 | MGAM (0.58) | — | |
| SCHEMBL2846065 | 0.94 | — | — | |
| SCHEMBL3181134 | 0.94 | — | — | |
| Malonic Acid SCHEMBL4212077 | 0.94 | LDHA (0.56) | — | |
| SCHEMBL25276833 | 0.94 | — | — | |
| SCHEMBL3197986 | 0.94 | — | — | |
| SCHEMBL1463993 | 0.94 | — | — | |
| SCHEMBL29002113 | 0.94 | MGAM (0.55) | — | |
| SCHEMBL28356244 | 0.94 | — | — |
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-1671352-A | Sunscreen cosmetic compositions storage stabilized with malonate salts | UNILEVER NV (NL) | 2005-09-21 | — | — | CN | disclosed |