⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28202335 | 0.91 | — | — | |
| SCHEMBL3945916 | 0.89 | — | — | |
| SCHEMBL27709370 | 0.89 | — | — | |
| SCHEMBL21840886 | 0.89 | — | — | |
| SCHEMBL29215815 | 0.84 | — | — | |
| Water SCHEMBL29088784 | 0.80 | — | — | |
| SCHEMBL28377454 | 0.80 | — | — | |
| Hydrochloric Acid SCHEMBL29210907 | 0.80 | — | — | |
| SCHEMBL28490077 | 0.80 | — | — | |
| Hydrochloric Acid SCHEMBL28348425 | 0.80 | — | — |
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-114080212-A | Cosmetic capsule | 株式会社LG生活健康 | 2022-02-22 | — | — | CN | disclosed |