⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3806124 | 0.95 | — | — | |
| SCHEMBL28394679 | 0.86 | — | — | |
| SCHEMBL28832258 | 0.82 | — | — | |
| SCHEMBL30007260 | 0.64 | — | — | |
| Propionaldehyde SCHEMBL16379 | 0.60 | — | — | |
| Propane SCHEMBL7705306 | 0.57 | — | — | |
| SCHEMBL120668 | 0.56 | — | — | |
| SCHEMBL55475 | 0.56 | — | — | |
| SCHEMBL1217 | 0.56 | — | — | |
| SCHEMBL639138 | 0.56 | — | — |
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-110272059-A | Titanium Sieve Molecular Sieve and its preparation method and application and epoxidation of propylene method | 国家能源投资集团有限责任公司 | 2019-09-24 | — | — | CN | disclosed |