⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28134388 | 0.97 | MAPT (0.46) | — | |
| SCHEMBL221723 | 0.97 | — | — | |
| Benzoquinone SCHEMBL8429283 | 0.94 | ALDH1A1 (0.47) | — | |
| Hydrochloric Acid SCHEMBL5197296 | 0.94 | MAPT (0.43) | — | |
| SCHEMBL28131185 | 0.94 | MAPT (0.43) | — | |
| Methane SCHEMBL23165647 | 0.94 | MAPT (0.43) | — | |
| SCHEMBL27825791 | 0.94 | MAPT (0.43) | — | |
| Trimethylammonium SCHEMBL27729208 | 0.87 | ERBB2 (0.39) | — | |
| Methoxymethane SCHEMBL790782 | 0.87 | ERBB2 (0.50) | — | |
| Butane SCHEMBL8541866 | 0.85 | ACHE (0.44) | — |
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-107849495-A | The method for cleaning vessel | 巴斯夫欧洲公司 | 2018-03-27 | — | — | CN | disclosed |
| CN-107428708-A | Benzoxazine low temperature cure composition | 亨斯迈先进材料美国有限责任公司 | 2017-12-01 | — | — | CN | disclosed |
| CN-105899651-A | Benefit agent containing delivery particle based on styrene maleic anhydride copolymer | 宝洁公司 | 2016-08-24 | — | — | CN | disclosed |