⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL57512 | 0.96 | — | — | |
| SCHEMBL5517191 | 0.96 | CA2 (0.50) | — | |
| SCHEMBL6363437 | 0.92 | — | — | |
| SCHEMBL28140855 | 0.92 | — | — | |
| SCHEMBL27761640 | 0.92 | — | — | |
| Water SCHEMBL11567541 | 0.92 | — | — | |
| SCHEMBL3964737 | 0.92 | — | — | |
| Hydrochloric Acid SCHEMBL4007788 | 0.92 | — | — | |
| SCHEMBL28655375 | 0.92 | — | — | |
| SCHEMBL27737264 | 0.92 | — | — |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-107055958-A | A kind of comprehensive processing technique of the washes of smelting iron and steel | 王冰 | 2017-08-18 | — | — | CN | claimed |
| CN-106927649-A | A kind of smelting iron and steel waste water zero discharge treatment process | 王冰 | 2017-07-07 | — | — | CN | claimed |
| CN-106865784-A | A kind of wastewater treatment material of smelting iron and steel and preparation method thereof | 王冰 | 2017-06-20 | — | — | CN | claimed |
| CN-105967352-A | Industrial wastewater high-efficiency treating agent and preparation method thereof | 安徽天顺环保设备股份有限公司 | 2016-09-28 | — | — | CN | claimed |
| CN-105967351-A | Wastewater treating agent for steel smelting and preparation method thereof | 安徽国能亿盛环保科技有限公司 | 2016-09-28 | — | — | CN | claimed |
| CN-107055958-A | A kind of comprehensive processing technique of the washes of smelting iron and steel | 王冰 | 2017-08-18 | — | — | CN | disclosed |
| CN-106927649-A | A kind of smelting iron and steel waste water zero discharge treatment process | 王冰 | 2017-07-07 | — | — | CN | disclosed |
| CN-106865784-A | A kind of wastewater treatment material of smelting iron and steel and preparation method thereof | 王冰 | 2017-06-20 | — | — | CN | disclosed |
| CN-106865784-A | A kind of wastewater treatment material of smelting iron and steel and preparation method thereof | 王冰 | 2017-06-20 | — | — | CN | disclosed |
| CN-105967351-A | Wastewater treating agent for steel smelting and preparation method thereof | 安徽国能亿盛环保科技有限公司 | 2016-09-28 | — | — | CN | disclosed |
| CN-105967352-A | Industrial wastewater high-efficiency treating agent and preparation method thereof | 安徽天顺环保设备股份有限公司 | 2016-09-28 | — | — | CN | disclosed |