⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23727310 | 1.00 | — | — | |
| SCHEMBL15884295 | 0.88 | — | — | |
| SCHEMBL1838306 | 0.87 | — | — | |
| SCHEMBL11225403 | 0.86 | ADH1A (0.39) | — | |
| SCHEMBL2490253 | 0.82 | MAPT (0.35) | — | |
| SCHEMBL22497888 | 0.82 | MAPT (0.35) | — | |
| SCHEMBL1836577 | 0.82 | LIPA (0.33) | — | |
| SCHEMBL13521273 | 0.78 | — | — | |
| SCHEMBL1647134 | 0.78 | NCF1 (0.32) | — | |
| SCHEMBL29100043 | 0.78 | — | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-117157279-A | Preparation method of bicyclo compound and application of bicyclo compound as antibacterial agent | 上海济煜医药科技有限公司 | 2023-12-01 | — | — | CN | disclosed |
| CN-110818552-B | Preparation method of 1-fluorocyclopropane carboxylic acid | 南京合巨药业有限公司 | 2022-04-22 | — | — | CN | disclosed |
| CN-110818552-A | Preparation method of 1-fluorocyclopropane carboxylic acid | 南京合巨药业有限公司 | 2020-02-21 | — | — | CN | disclosed |
| CN-108738320-A | 4- amino -2- (1H- pyrazolos [3 as the cGMP conditioning agents for treating angiocardiopathy, 4-b] pyridin-3-yl) -6- oxos -6,7- dihydro -5H- pyrrolo-es [2,3-d] pyrimidine derivatives and respective (1H- indazole -3- bases) derivative | 默沙东公司 | 2018-11-02 | — | — | CN | disclosed |
| EP-2483290-A1 | CYCLIC PEPTIDE INHIBITORS OF HEPATITIS C VIRUS REPLICATION | Intermune, Inc. (US) | 2012-08-08 | — | — | EP | disclosed |
| WO-2011038293-A1 | CYCLIC PEPTIDE INHIBITORS OF HEPATITIS C VIRUS REPLICATION | INTERMUNE, INC. (US) | 2011-03-31 | — | — | WO | disclosed |