⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18092728 | 0.85 | — | — | |
| SCHEMBL18092729 | 0.85 | — | — | |
| SCHEMBL4742365 | 0.76 | — | — | |
| SCHEMBL1120302 | 0.76 | — | — | |
| SCHEMBL912766 | 0.75 | — | — | |
| SCHEMBL17822451 | 0.74 | FAAH (0.54) | — | |
| SCHEMBL17822450 | 0.74 | FAAH (0.54) | — | |
| SCHEMBL27042985 | 0.73 | TRPA1 (0.38) | — | |
| SCHEMBL28277864 | 0.73 | ACLY (0.36) | — | |
| SCHEMBL20394571 | 0.73 | ACLY (0.36) | — |
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-107207994-B | Photolabile acetal and ketal compounds for controlled release of active volatile carbonyl compounds | 弗门尼舍有限公司 | 2021-06-18 | — | — | CN | disclosed |