⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17868156 | 0.97 | CA2 (0.39) | — | |
| SCHEMBL11110360 | 0.97 | CA2 (0.39) | — | |
| SCHEMBL1735155 | 0.91 | — | — | |
| SCHEMBL10457263 | 0.84 | CA2 (0.43) | — | |
| SCHEMBL8069056 | 0.81 | CA2 (0.48) | — | |
| SCHEMBL11147913 | 0.81 | CA2 (0.48) | — | |
| SCHEMBL10798852 | 0.81 | CA2 (0.48) | — | |
| SCHEMBL30041571 | 0.81 | CA2 (0.48) | — | |
| SCHEMBL1805462 | 0.79 | — | — | |
| SCHEMBL1660042 | 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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2019046465-A2 | THERAPEUTIC INDOLES | RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) | 2019-03-07 | — | — | WO | claimed |
| CN-114369045-B | Fluorine-containing alkylthio substituted olefin derivative and synthesis method thereof | 中国科学院大连化学物理研究所 | 2022-10-21 | — | — | CN | disclosed |
| CN-114369045-A | Fluorine-containing alkylthio substituted olefin derivative and synthesis method thereof | 中国科学院大连化学物理研究所 | 2022-04-19 | — | — | CN | disclosed |
| WO-2019046465-A2 | THERAPEUTIC INDOLES | RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) | 2019-03-07 | — | — | WO | disclosed |
| CN-101535444-B | Compositions and methods for improving yield of hydrocarbon producing wells | 德克萨斯州立大学董事会 | 2018-03-27 | — | — | CN | disclosed |
| CN-101835872-B | Method for treating a hydrocarbon formation | UNIV TEXAS | 2014-06-18 | — | — | CN | disclosed |
| CN-101835872-A | Handle the method for hydrocarbon containing formation | UNIV TEXAS | 2010-09-15 | — | — | CN | disclosed |
| CN-101688110-A | Handle the method and system of hydrocarbon containing formation | UNIV TEXAS | 2010-03-31 | — | — | CN | disclosed |
| CN-101535444-A | Compositions and methods for improving yield of hydrocarbon producing wells | UNIV TEXAS (US) | 2009-09-16 | — | — | CN | disclosed |
| WO-2003106435-A1 | FUSED-RING PYRIMIDIN-4(3H)-ONE DERIVATIVES, PROCESSES FOR THE PREPARATION AND USES THEREOF | SANKYO COMPANY, LIMITED (JP) | 2003-12-24 | — | — | WO | disclosed |
| EP-0007519-A1 | Process for the preparation of hydroxyalkyl-perfluoralkane-sulfonamides | BAYER AG (DE) | 1980-02-06 | — | — | EP | disclosed |