⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28033423 | 0.96 | — | — | |
| SCHEMBL15391984 | 0.96 | — | — | |
| SCHEMBL27633213 | 0.96 | — | — | |
| SCHEMBL4538313 | 0.96 | — | — | |
| SCHEMBL4739462 | 0.92 | — | — | |
| SCHEMBL5068224 | 0.92 | — | — | |
| SCHEMBL7176830 | 0.92 | — | — | |
| SCHEMBL10579385 | 0.92 | — | — | |
| SCHEMBL11503005 | 0.92 | — | — | |
| SCHEMBL6266606 | 0.92 | — | — |
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-1037942-C | Hydrogen chloride adsorbing agent and preparation method thereof | INST OF PETROCHEMICAL SCIENCES (CN) | 1998-04-08 | — | — | CN | disclosed |