⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28469767 | 1.00 | — | — | |
| SCHEMBL170110 | 0.98 | — | — | |
| Sulfuric Acid SCHEMBL29180311 | 0.95 | BLM (0.32) | — | |
| Ammonia Solution, Strong SCHEMBL21752715 | 0.95 | — | — | |
| Glycolic Acid SCHEMBL7999583 | 0.87 | — | — | |
| Allyl Alcohol SCHEMBL27465733 | 0.84 | TSHR (0.33) | — | |
| SCHEMBL3893516 | 0.84 | CA2 (0.33) | — | |
| SCHEMBL11070059 | 0.84 | CA2 (0.33) | — | |
| SCHEMBL11070056 | 0.84 | CA2 (0.33) | — | |
| SCHEMBL4903342 | 0.82 | CA4 (0.33) | — |
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-114727914-A | Product for the indirect transfer of a cosmetic active to the skin | 西姆莱斯股份公司 | 2022-07-08 | — | — | CN | disclosed |