⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23158264 | 0.85 | — | — | |
| SCHEMBL14378101 | 0.82 | — | — | |
| SCHEMBL13960265 | 0.76 | — | — | |
| SCHEMBL18855241 | 0.76 | — | — | |
| SCHEMBL12330809 | 0.73 | — | — | |
| SCHEMBL17379521 | 0.73 | — | — | |
| SCHEMBL17379544 | 0.73 | — | — | |
| SCHEMBL28460584 | 0.73 | — | — | |
| SCHEMBL13274136 | 0.73 | — | — | |
| SCHEMBL14359831 | 0.71 | TRPA1 (0.45) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-10343934-B2 | Hydrogel-based decontamination of aqueous samples containing nanoparticles | Universite de Bordeaux (FR) | 2019-07-09 | — | — | US | disclosed |