⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL31540633 | 0.79 | — | — | |
| SCHEMBL3806197 | 0.79 | — | — | |
| SCHEMBL1019781 | 0.76 | MAPT (0.46) | — | |
| SCHEMBL27510266 | 0.76 | HSP90AA1 (0.32) | — | |
| SCHEMBL28426882 | 0.73 | CCNA2 (0.32) | — | |
| SCHEMBL27488451 | 0.72 | — | — | |
| SCHEMBL13350948 | 0.72 | KDM4E (0.30) | — | |
| SCHEMBL30998114 | 0.71 | PSMD14 (0.38) | — | |
| SCHEMBL471909 | 0.71 | PSMD14 (0.38) | — | |
| SCHEMBL9617483 | 0.71 | GABRP (0.40) | — |
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-112694951-A | Non-phosphoric acid series medium and low pressure boiler cleaning agent and preparation method thereof | 嘉兴沃特泰科环保科技股份有限公司 | 2021-04-23 | — | — | CN | claimed |
| CN-112694951-A | Non-phosphoric acid series medium and low pressure boiler cleaning agent and preparation method thereof | 嘉兴沃特泰科环保科技股份有限公司 | 2021-04-23 | — | — | CN | disclosed |
| CN-111441058-A | Descaling rust-removing corrosion-inhibition prefilming agent and preparation method and application thereof | 北京可林维尔化工有限公司 | 2020-07-24 | — | — | CN | disclosed |