⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18632221 | 0.78 | — | — | |
| SCHEMBL8404098 | 0.78 | — | — | |
| SCHEMBL530 | 0.78 | — | — | |
| SCHEMBL1345821 | 0.78 | — | — | |
| SCHEMBL23581253 | 0.72 | — | — | |
| Fluoride SCHEMBL9298468 | 0.72 | — | — | |
| Fluoride SCHEMBL9298463 | 0.72 | — | — | |
| Hydrochloric Acid SCHEMBL7101345 | 0.72 | — | — | |
| SCHEMBL3264402 | 0.72 | — | — | |
| Hydrochloric Acid SCHEMBL23201463 | 0.72 | — | — |
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-106489026-A | Diaphragm pump | 法国圣戈班性能塑料公司 | 2017-03-08 | — | — | CN | disclosed |