⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2382234 | 0.97 | — | — | |
| SCHEMBL29157267 | 0.97 | THRB (0.56) | — | |
| SCHEMBL2381476 | 0.97 | — | — | |
| SCHEMBL62155 | 0.97 | — | — | |
| SCHEMBL31303531 | 0.94 | — | — | |
| Hydrochloric Acid SCHEMBL21682461 | 0.94 | — | — | |
| Ammonia Solution, Strong SCHEMBL8212958 | 0.94 | — | — | |
| Alcohol SCHEMBL15477222 | 0.94 | THRB (0.53) | — | |
| Glycerin SCHEMBL3252402 | 0.94 | LMNA (0.56) | — | |
| SCHEMBL28231854 | 0.94 | — | — |
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-105878053-A | Cosmetic raw materials and cosmetic product containing components of raw materials | 湛江市赛美生物科技有限公司 | 2016-08-24 | — | — | CN | disclosed |