⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8539819 | 0.75 | ALDH1A1 (0.33) | — | |
| SCHEMBL149016 | 0.75 | CYP2D6 (0.32) | — | |
| Water SCHEMBL2820889 | 0.73 | CYP2D6 (0.30) | — | |
| Bromide SCHEMBL2351772 | 0.73 | CYP2D6 (0.30) | — | |
| Hydrochloric Acid SCHEMBL5153044 | 0.73 | CYP2D6 (0.30) | — | |
| Fluoride SCHEMBL4617191 | 0.73 | CYP2D6 (0.30) | — | |
| SCHEMBL16798769 | 0.71 | DNM1 (0.41) | — | |
| SCHEMBL27863328 | 0.69 | CYP2D6 (0.32) | — | |
| SCHEMBL27472038 | 0.69 | — | — | |
| SCHEMBL3270699 | 0.69 | — | — |
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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-107304256-B | A kind of composite flame-retardant agent, flame-retardant pitch and preparation method thereof | 中国石油化工股份有限公司 | 2019-08-06 | — | — | CN | claimed |
| CN-106661431-B | chemical mechanical polishing composition for copper barrier | 嘉柏微电子材料股份公司 | 2019-06-28 | — | — | CN | claimed |
| CN-109728339-A | Electrolyte composition, all solid state electrolyte film and preparation method thereof, anode and all-solid lithium-ion battery | 比亚迪股份有限公司 | 2019-05-07 | — | — | CN | claimed |
| CN-106661430-B | tungsten chemical mechanical polishing composition | 嘉柏微电子材料股份公司 | 2019-03-19 | — | — | CN | claimed |
| CN-107304256-A | A kind of composite flame-retardant agent, flame-retardant pitch and preparation method thereof | 中国石油化工股份有限公司 | 2017-10-31 | — | — | CN | claimed |
| CN-106575614-B | The manufacturing method of chemical-mechanical polishing composition | 嘉柏微电子材料股份公司 | 2019-10-18 | — | — | CN | disclosed |
| CN-107001913-B | Colloidal silica chemical-mechanical polishing composition | 嘉柏微电子材料股份公司 | 2019-06-28 | — | — | CN | disclosed |
| CN-106661431-B | chemical mechanical polishing composition for copper barrier | 嘉柏微电子材料股份公司 | 2019-06-28 | — | — | CN | disclosed |
| CN-107075343-B | Cabosil chemical-mechanical polishing composition | 嘉柏微电子材料股份公司 | 2019-06-28 | — | — | CN | disclosed |
| CN-109841779-A | A kind of battery diaphragm and preparation method thereof and battery | 深圳市比亚迪锂电池有限公司 | 2019-06-04 | — | — | CN | disclosed |
| CN-106661430-B | tungsten chemical mechanical polishing composition | 嘉柏微电子材料股份公司 | 2019-03-19 | — | — | CN | disclosed |
| CN-109414672-A | Heat-swellable thermoplastic microspheres and preparation method thereof | 阿克苏诺贝尔化学品国际有限公司 | 2019-03-01 | — | — | CN | disclosed |