⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12446358 | 0.97 | — | — | |
| SCHEMBL14681561 | 0.97 | — | — | |
| SCHEMBL27850932 | 0.80 | — | — | |
| SCHEMBL13844662 | 0.78 | ALDH1A1 (0.38) | — | |
| SCHEMBL27867931 | 0.78 | SLC18A3 (0.38) | — | |
| SCHEMBL24478266 | 0.77 | — | — | |
| SCHEMBL16386432 | 0.77 | — | — | |
| SCHEMBL20991969 | 0.77 | — | — | |
| SCHEMBL24477584 | 0.77 | — | — | |
| SCHEMBL14874027 | 0.77 | — | — |
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-102448999-B | Polyethylene resin, catalyst for production thereof, method for production thereof, hollow plastic molded article comprising polyethylene resin, and use thereof | JAPAN POLYETHYLENE CORP | 2015-01-21 | — | — | CN | disclosed |
| CN-102448999-A | Polyethylene resin, catalyst for production thereof, method for production thereof, hollow plastic molded article comprising polyethylene resin, and use thereof | JAPAN POLYETHYLENE CORP | 2012-05-09 | — | — | CN | disclosed |