⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28870581 | 0.80 | KDM4E (0.30) | — | |
| SCHEMBL9008384 | 0.64 | PNMT (0.33) | — | |
| Formic Acid SCHEMBL28399817 | 0.62 | CTSB (0.42) | — | |
| SCHEMBL8595905 | 0.61 | PNMT (0.33) | — | |
| SCHEMBL13738835 | 0.60 | MEN1 (0.35) | — | |
| SCHEMBL17007833 | 0.59 | HCRTR2 (0.36) | — | |
| SCHEMBL8358228 | 0.58 | CTSB (0.49) | — | |
| SCHEMBL30607690 | 0.58 | SLC6A4 (0.37) | — | |
| Propylene Oxide SCHEMBL7623275 | 0.57 | PNMT (0.43) | — | |
| SCHEMBL5450499 | 0.57 | PNMT (0.43) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109553707-A | A kind of catalytic component, catalyst and application for olefinic polymerization | 中国石油化工股份有限公司 | 2019-04-02 | — | — | CN | disclosed |
| CN-109553709-A | A kind of catalytic component and its catalyst for olefinic polymerization | 中国石油化工股份有限公司 | 2019-04-02 | — | — | CN | disclosed |
| CN-109553708-A | A kind of catalytic component and preparation method thereof for olefinic polymerization | 中国石油化工股份有限公司 | 2019-04-02 | — | — | CN | disclosed |