⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18725030 | 0.83 | DNM1 (0.36) | — | |
| SCHEMBL13284590 | 0.81 | OPRM1 (0.39) | — | |
| SCHEMBL28356699 | 0.81 | OPRM1 (0.39) | — | |
| SCHEMBL815128 | 0.78 | — | — | |
| SCHEMBL2762244 | 0.75 | — | — | |
| SCHEMBL1727232 | 0.72 | — | — | |
| SCHEMBL4674609 | 0.72 | — | — | |
| SCHEMBL18984804 | 0.71 | — | — | |
| SCHEMBL7978065 | 0.71 | — | — | |
| SCHEMBL1063914 | 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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-108484500-B | Preparation method of 1-trifluoroethyl isoquinoline | 四川理工学院 | 2021-05-04 | — | — | CN | disclosed |
| EP-2970283-B1 | SUBSTITUTED 2-AZA-BICYCLO[2.2.1]HEPTANE-3-CARBOXYLIC ACID (BENZYL-CYANO-METHYL)-AMIDES INHIBITORS OF CATHEPSIN C | BOEHRINGER INGELHEIM INT (DE) | 2020-11-11 | — | — | EP | disclosed |
| EP-1951382-A1 | FIRE EXTINGUISHING AND FIRE SUPPRESSION COMPOSITIONS COMPRISING UNSATURATE FLOUOROCARBONS | GREAT LAKES CHEMICAL CORPORATION (US) | 2008-08-06 | — | — | EP | disclosed |
| WO-2007059468-A1 | FIRE EXTINGUISHING AND FIRE SUPPRESSION COMPOSITIONS COMPRISING UNSATURATE FLOUOROCARBONS | GREAT LAKES CHEMICAL CORPORATION (US) | 2007-05-24 | — | — | WO | disclosed |