⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5675269 | 1.00 | — | — | |
| SCHEMBL5678908 | 1.00 | — | — | |
| SCHEMBL12561015 | 0.94 | CYP1A2 (0.50) | — | |
| SCHEMBL24151030 | 0.86 | — | — | |
| SCHEMBL6461247 | 0.80 | — | — | |
| SCHEMBL8686797 | 0.79 | CYP1A2 (0.48) | — | |
| SCHEMBL2651421 | 0.78 | — | — | |
| SCHEMBL11244232 | 0.75 | ALDH1A1 (0.42) | — | |
| SCHEMBL31351964 | 0.75 | CYP1A2 (0.40) | — | |
| SCHEMBL10593142 | 0.75 | — | — |
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 13 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-118184561-A | Synthetic method and application of R-N-methyl-2- (2-hydroxyethyl) pyrrolidine | 济宁晟泰药业有限公司 | 2024-06-14 | — | — | CN | claimed |
| US-4321387-A | Process for the preparation of optically active nicotine analogs | PHILIP MORRIS, INCORPORATED (US) | 1982-03-23 | — | — | US | claimed |
| JP-53059662-A | — | — | None | — | — | JP | disclosed |
| CN-118184561-A | Synthetic method and application of R-N-methyl-2- (2-hydroxyethyl) pyrrolidine | 济宁晟泰药业有限公司 | 2024-06-14 | — | — | CN | disclosed |
| EP-4169913-A1 | SUBSTITUTED PYRAZINE COMPOUND, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND USE THEREOF | Sichuan Kelun-Biotech Biopharmaceutical Co., Ltd. (CN) | 2023-04-26 | — | — | EP | disclosed |
| WO-2021259077-A1 | SUBSTITUTED PYRAZINE COMPOUND, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND USE THEREOF | 四川科伦博泰生物医药股份有限公司 | 2021-12-30 | — | — | WO | disclosed |
| CN-110655482-A | Preparation method of gulconine | 四川轻化工大学 | 2020-01-07 | — | — | CN | disclosed |
| US-7507727-B2 | Substituted quinobenzoxazine analogs and methods of using thereof | CYLENE PHARMACEUTICALS, INC. (US) | 2009-03-24 | — | — | US | disclosed |
| US-7507727-B2 | Substituted quinobenzoxazine analogs and methods of using thereof | CYLENE PHARMACEUTICALS, INC. (US) | 2009-03-24 | — | — | US | disclosed |
| US-7354916-B2 | Substituted quinobenzoxazine analogs | CYLENE PHARMACEUTICALS (US) | 2008-04-08 | — | — | US | disclosed |
| US-7354916-B2 | Substituted quinobenzoxazine analogs | CYLENE PHARMACEUTICALS (US) | 2008-04-08 | — | — | US | disclosed |
| US-4321387-A | Process for the preparation of optically active nicotine analogs | PHILIP MORRIS, INCORPORATED (US) | 1982-03-23 | — | — | US | disclosed |
| JP-S5359662-A | NOVEL ACETONITRILES AND PROCESS FOR PREPARATION OF THE SAME | KYOWA HAKKO KOGYO CO LTD | 1978-05-29 | — | — | JP | disclosed |