⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14617192 | 0.77 | — | — | |
| SCHEMBL163144 | 0.75 | — | — | |
| SCHEMBL112430 | 0.68 | — | — | |
| SCHEMBL7603963 | 0.67 | TSHR (0.36) | — | |
| SCHEMBL23581551 | 0.67 | — | — | |
| SCHEMBL23869450 | 0.65 | — | — | |
| SCHEMBL28070815 | 0.65 | — | — | |
| SCHEMBL13979881 | 0.63 | — | — | |
| SCHEMBL12884500 | 0.63 | ALDH1A1 (0.30) | — | |
| SCHEMBL23809015 | 0.63 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-115515920-B | Oxa sandalwood type perfume compound | 西姆莱斯股份公司 | 2024-10-25 | — | — | CN | disclosed |
| CN-116940466-A | Consumer products | 联合利华知识产权控股有限公司 | 2023-10-24 | — | — | CN | disclosed |
| CN-113710785-A | Compound and detergent composition | 联合利华知识产权控股有限公司 | 2021-11-26 | — | — | CN | disclosed |