⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28515648 | 0.79 | ALDH1A1 (0.33) | — | |
| SCHEMBL9089960 | 0.76 | — | — | |
| SCHEMBL27434209 | 0.76 | — | — | |
| SCHEMBL27501079 | 0.75 | — | — | |
| SCHEMBL1081929 | 0.75 | TSHR (0.33) | — | |
| SCHEMBL4243463 | 0.75 | — | — | |
| SCHEMBL8890225 | 0.75 | — | — | |
| SCHEMBL9282299 | 0.75 | — | — | |
| SCHEMBL8890214 | 0.75 | — | — | |
| SCHEMBL29778183 | 0.71 | — | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3438108-B1 | PHENYL [A]INDOLE[2,3-G]QUINOLIZINE COMPOUNDS, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION, AND APPLICATIONS THEREOF | SHANGHAI INST MATERIA MEDICA CAS (CN) | 2022-08-10 | — | — | EP | claimed |
| EP-3438108-B1 | PHENYL [A]INDOLE[2,3-G]QUINOLIZINE COMPOUNDS, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION, AND APPLICATIONS THEREOF | SHANGHAI INST MATERIA MEDICA CAS (CN) | 2022-08-10 | — | — | EP | disclosed |
| CN-108101870-B | Preparation method of active ingredient for selectively treating glaucoma and related salt thereof | 盐城师范学院 | 2020-03-06 | — | — | CN | disclosed |
| CN-108101870-B | Preparation method of active ingredient for selectively treating glaucoma and related salt thereof | 盐城师范学院 | 2020-03-06 | — | — | CN | disclosed |
| EP-1572660-A1 | ISOQUINOLINONE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS | X-Ceptor Therapeutics, Inc. (US) | 2005-09-14 | — | — | EP | disclosed |
| WO-2004058717-A1 | ISOQUINOLINONE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS | X-CEPTOR THERAPEUTICS, INC. (US) | 2004-07-15 | — | — | WO | disclosed |
| CN-1371425-A | Plant gene expression controlled by constitutive plant V-ATPASE promoters | BASF PLANT SCIENCE AG (DE) | 2002-09-25 | — | — | CN | disclosed |