⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15478 | 0.75 | — | — | |
| SCHEMBL59986 | 0.75 | — | — | |
| SCHEMBL16234794 | 0.75 | OR51E2 (0.53) | — | |
| SCHEMBL439347 | 0.75 | — | — | |
| SCHEMBL3262837 | 0.75 | OR51E2 (0.53) | — | |
| SCHEMBL459819 | 0.74 | — | — | |
| Water SCHEMBL9238988 | 0.73 | — | — | |
| Water SCHEMBL4388261 | 0.73 | — | — | |
| Water SCHEMBL9238992 | 0.73 | — | — | |
| SCHEMBL11225792 | 0.71 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-117729945-A | Fragrance composition, method of making and articles comprising the same | 埃克苏德公司 | 2024-03-19 | — | — | CN | claimed |
| EP-2108646-B1 | Alpha, Alpha'-Dihydroxyketone derivatives and their use as UV filters | MERCK PATENT GMBH (DE) | 2010-10-27 | — | — | EP | claimed |