⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28476578 | 0.91 | — | — | |
| SCHEMBL27607333 | 0.91 | — | — | |
| SCHEMBL28643185 | 0.83 | — | — | |
| SCHEMBL28480377 | 0.83 | — | — | |
| SCHEMBL27948501 | 0.83 | — | — | |
| SCHEMBL28470996 | 0.83 | — | — | |
| SCHEMBL28637765 | 0.83 | — | — | |
| SCHEMBL28468821 | 0.83 | — | — | |
| SCHEMBL28465006 | 0.83 | — | — | |
| SCHEMBL28035581 | 0.83 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-107952448-B | Composite metal oxide catalyst and preparation method and application thereof | 中国石油化工股份有限公司 | 2020-10-27 | — | — | CN | disclosed |
| CN-107954840-B | Method for preparing benzaldehyde and benzyl alcohol | 中国石油化工股份有限公司 | 2020-07-28 | — | — | CN | disclosed |