⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL290730 | 0.94 | — | — | |
| Hydrochloric Acid SCHEMBL4062946 | 0.90 | — | — | |
| SCHEMBL27796812 | 0.90 | — | — | |
| Water SCHEMBL11546193 | 0.90 | — | — | |
| Water SCHEMBL27890637 | 0.88 | — | — | |
| Benzene SCHEMBL8598626 | 0.88 | MAOA (0.41) | — | |
| Cyclopropane SCHEMBL8040928 | 0.85 | — | — | |
| Potassium Chloride SCHEMBL28646771 | 0.80 | GRIN2D (0.35) | — | |
| SCHEMBL9094845 | 0.75 | ALDH1A1 (0.39) | — | |
| SCHEMBL17970433 | 0.73 | ALDH1A1 (0.38) | — |
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-109789076-A | Stable fine and close shampoo product with low viscosity and viscosity reducers | 宝洁公司 | 2019-05-21 | — | — | CN | disclosed |