⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL972050 | 0.97 | — | — | |
| SCHEMBL8770067 | 0.80 | — | — | |
| SCHEMBL8769743 | 0.77 | — | — | |
| SCHEMBL3932453 | 0.73 | — | — | |
| SCHEMBL6487194 | 0.71 | — | — | |
| SCHEMBL7367370 | 0.71 | — | — | |
| SCHEMBL621215 | 0.67 | — | — | |
| SCHEMBL23624 | 0.67 | — | — | |
| SCHEMBL6157481 | 0.67 | — | — | |
| SCHEMBL2889067 | 0.67 | — | — |
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-1590513-A | Selective hydrogenation technology of hydrocarbon material flow rich acetylene in hydrocarbon | QILU PETROCHEMICAL CO SINOPEC (CN) | 2005-03-09 | — | — | CN | disclosed |