⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL179792 | 1.00 | — | — | |
| Benzene SCHEMBL28188432 | 1.00 | — | — | |
| SCHEMBL28225793 | 0.98 | — | — | |
| SCHEMBL28189569 | 0.98 | — | — | |
| SCHEMBL16684760 | 0.98 | — | — | |
| SCHEMBL29291256 | 0.98 | — | — | |
| SCHEMBL10937373 | 0.98 | — | — | |
| Chloromethane SCHEMBL27326674 | 0.96 | TSHR (0.30) | — | |
| Ethylene SCHEMBL28049978 | 0.96 | — | — | |
| Methyl Alcohol SCHEMBL928064 | 0.94 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109777291-A | A kind of self-cleaning glass hydrophobing agent | 湖北新四海化工股份有限公司 | 2019-05-21 | — | — | CN | disclosed |
| CN-109678356-A | A kind of high light transmission glass hydrophobing agent and preparation method thereof | 湖北新四海化工股份有限公司 | 2019-04-26 | — | — | CN | disclosed |
| CN-109678359-A | A kind of preparation method and application of self-cleaning glass hydrophobing agent | 湖北新四海化工股份有限公司 | 2019-04-26 | — | — | CN | disclosed |
| CN-104877329-B | A kind of polycarbonate compositions and preparation method thereof | 金发科技股份有限公司 | 2016-12-14 | — | — | CN | disclosed |