⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL395770 | 0.73 | ALDH1A1 (0.50) | — | |
| SCHEMBL5658402 | 0.71 | — | — | |
| SCHEMBL13499 | 0.71 | — | — | |
| SCHEMBL14674966 | 0.69 | KIF11 (0.52) | — | |
| SCHEMBL19334300 | 0.69 | RAPGEF4 (0.45) | — | |
| SCHEMBL21844928 | 0.69 | CA12 (0.45) | — | |
| SCHEMBL21337485 | 0.69 | — | — | |
| SCHEMBL20987906 | 0.69 | TSHR (0.50) | — | |
| SCHEMBL101703 | 0.69 | — | — | |
| SCHEMBL4267703 | 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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-115884611-A | CsPbI 3 Perovskite solar cell and preparation method thereof | 北京科技大学 | 2023-03-31 | — | — | CN | claimed |
| CN-106577732-A | Efficient herbicide | 安徽东健化工科技有限公司 | 2017-04-26 | — | — | CN | claimed |
| CN-115884611-B | CsPbI 3 Perovskite solar cell and preparation method thereof | 北京科技大学 | 2023-06-27 | — | — | CN | disclosed |
| CN-115884611-A | CsPbI 3 Perovskite solar cell and preparation method thereof | 北京科技大学 | 2023-03-31 | — | — | CN | disclosed |
| CN-105859725-B | The synthetic method of 5,10 indoline simultaneously [3,2 b] indole derivatives | 天津大学 | 2017-11-17 | — | — | CN | disclosed |
| CN-106577732-A | Efficient herbicide | 安徽东健化工科技有限公司 | 2017-04-26 | — | — | CN | disclosed |
| CN-103848829-B | Heteroaryl alkyne compounds and application thereof | 南京圣和药业股份有限公司 | 2017-04-12 | — | — | CN | disclosed |
| CN-102548970-B | Novel (6-oxo-1, 6-dihydropyrimidin-2-yl) amide derivatives, process for their preparation and their medical use as akt (pkb) phosphorylation inhibitors | SAI NUOFEI (FR) | 2015-11-25 | — | — | CN | disclosed |
| CN-103848829-A | Heteroaryl alkyne compounds and application thereof | NANJING SANHOME PHARMACEUTICAL CO LTD | 2014-06-11 | — | — | CN | disclosed |
| WO-2012085815-A1 | BI-HETEROARYL COMPOUNDS AS VPS34 INHIBITORS | NOVARTIS AG (CH) | 2012-06-28 | — | — | WO | disclosed |
| CN-101730692-A | Pyridazinone derivatives useful as glucan synthase inhibitors | SCHERING CORP | 2010-06-09 | — | — | CN | disclosed |