⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1885474 | 0.71 | — | — | |
| Heptane SCHEMBL28498778 | 0.69 | TSHR (0.36) | — | |
| SCHEMBL27603050 | 0.69 | TSHR (0.36) | — | |
| Hexane SCHEMBL29140428 | 0.67 | TSHR (0.32) | — | |
| SCHEMBL9308304 | 0.67 | — | — | |
| SCHEMBL29152643 | 0.67 | GPR84 (0.40) | — | |
| SCHEMBL1463127 | 0.65 | — | — | |
| SCHEMBL2703050 | 0.65 | — | — | |
| SCHEMBL3210180 | 0.65 | — | — | |
| SCHEMBL10946089 | 0.64 | TSHR (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-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 |