⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11123016 | 0.72 | ALDH1A1 (0.33) | — | |
| SCHEMBL1245070 | 0.72 | — | — | |
| SCHEMBL20879327 | 0.69 | — | — | |
| Acetic Acid SCHEMBL21900162 | 0.68 | — | — | |
| SCHEMBL11073245 | 0.67 | — | — | |
| SCHEMBL20879344 | 0.65 | — | — | |
| SCHEMBL2624937 | 0.64 | — | — | |
| SCHEMBL717557 | 0.63 | — | — | |
| SCHEMBL715768 | 0.58 | — | — | |
| SCHEMBL10902063 | 0.57 | NOS3 (0.31) | — |
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-115919665-A | Composition comprising a plurality of populations of microcapsules comprising perfume | 宝洁公司 | 2023-04-07 | — | — | CN | disclosed |