⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27723583 | 0.77 | — | — | |
| SCHEMBL27703136 | 0.61 | — | — | |
| SCHEMBL27501095 | 0.61 | — | — | |
| SCHEMBL27698844 | 0.60 | ALDH1A1 (0.32) | — | |
| SCHEMBL13021206 | 0.59 | — | — | |
| SCHEMBL14346754 | 0.58 | — | — | |
| SCHEMBL487080 | 0.58 | — | — | |
| Bromide SCHEMBL28337037 | 0.58 | — | — | |
| SCHEMBL13888575 | 0.57 | — | — | |
| SCHEMBL14672537 | 0.57 | — | — |
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-101985413-A | Onium salt compound | KOEI CHEMICAL CO | 2011-03-16 | — | — | CN | disclosed |