⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20598782 | 0.93 | — | — | |
| SCHEMBL5443 | 0.93 | — | — | |
| Ammonia Solution, Strong SCHEMBL27822921 | 0.86 | — | — | |
| SCHEMBL28818485 | 0.86 | — | — | |
| Aluminum Chloride Anhydrous SCHEMBL29658831 | 0.71 | — | — | |
| Water SCHEMBL27995279 | 0.71 | — | — | |
| SCHEMBL1894136 | 0.68 | — | — | |
| Aluminum Chloride Anhydrous SCHEMBL27416425 | 0.68 | — | — | |
| SCHEMBL231180 | 0.67 | — | — | |
| Aluminum Chloride Anhydrous SCHEMBL27281151 | 0.62 | — | — |
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-110072981-A | Automobile gear lubricant oil composite | 三井化学株式会社 | 2019-07-30 | — | — | CN | disclosed |
| CN-104254546-B | The manufacture method of olefin polymer | 三井化学株式会社 | 2016-11-02 | — | — | CN | disclosed |