⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL25412169 | 0.95 | — | — | |
| SCHEMBL20336225 | 0.88 | — | — | |
| Hydrochloric Acid SCHEMBL28501180 | 0.86 | — | — | |
| SCHEMBL28345698 | 0.85 | — | — | |
| SCHEMBL28723465 | 0.82 | — | — | |
| Boric Acid SCHEMBL29273910 | 0.81 | — | — | |
| SCHEMBL29273911 | 0.81 | — | — | |
| SCHEMBL28270296 | 0.79 | — | — | |
| SCHEMBL28694070 | 0.76 | — | — | |
| SCHEMBL27916205 | 0.75 | — | — |
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-110026091-B | Ionic liquid modified positively charged composite nanofiltration membrane and preparation method thereof | 清华大学 | 2021-02-23 | — | — | CN | disclosed |