⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28409263 | 0.83 | APOBEC3A (0.36) | — | |
| SCHEMBL30142942 | 0.78 | APOBEC3A (0.36) | — | |
| SCHEMBL28408016 | 0.78 | — | — | |
| SCHEMBL28408012 | 0.72 | ALDH1A1 (0.32) | — | |
| SCHEMBL5726062 | 0.71 | EPHX2 (0.33) | — | |
| SCHEMBL21950891 | 0.70 | POLB (0.34) | — | |
| SCHEMBL22891017 | 0.68 | FAAH (0.33) | — | |
| SCHEMBL28923576 | 0.67 | FAAH (0.32) | — | |
| SCHEMBL33485 | 0.65 | FAAH (0.40) | — | |
| SCHEMBL9797524 | 0.64 | CYP3A4 (0.50) | — |
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-111171195-A | Propylene polymerization solid catalyst for reducing VOC and method for producing polypropylene using the same | 韩华道达尔有限公司 | 2020-05-19 | — | — | CN | disclosed |