⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2748692 | 0.79 | — | — | |
| SCHEMBL1694479 | 0.76 | — | — | |
| SCHEMBL14360071 | 0.76 | — | — | |
| SCHEMBL23933272 | 0.74 | — | — | |
| SCHEMBL21054616 | 0.74 | — | — | |
| SCHEMBL3629503 | 0.74 | — | — | |
| Hydrochloric Acid SCHEMBL18587333 | 0.72 | — | — | |
| SCHEMBL23933248 | 0.72 | MCL1 (0.38) | — | |
| SCHEMBL15904204 | 0.70 | CYP2D6 (0.36) | — | |
| SCHEMBL30821432 | 0.70 | — | — |
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-116034141-A | Resin-containing composition with antibacterial properties, in particular biocidal properties, for surface coverings on paper layers or artificial boards | 瑞士克罗诺泰克股份公司 | 2023-04-28 | — | — | CN | disclosed |