⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL893581 | 1.00 | — | — | |
| Hydrochloric Acid SCHEMBL4428244 | 0.98 | HRH3 (0.44) | — | |
| Ammonia Solution, Strong SCHEMBL27321717 | 0.98 | HRH3 (0.44) | — | |
| Hydrochloric Acid SCHEMBL31482227 | 0.98 | HRH3 (0.44) | — | |
| SCHEMBL14865879 | 0.93 | CYP1A2 (0.41) | — | |
| SCHEMBL21140619 | 0.91 | CYP1A2 (0.45) | — | |
| SCHEMBL10346166 | 0.91 | CYP1A2 (0.45) | — | |
| SCHEMBL892690 | 0.87 | CYP1A2 (0.56) | — | |
| SCHEMBL764554 | 0.86 | — | — | |
| SCHEMBL293018 | 0.86 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-11827920-B2 | Nanostructure, a biosensor including the nanostructure, and a screening method | POSTECH Research and Business Development Foundation (KR) | 2023-11-28 | — | — | US | disclosed |
| US-10858339-B2 | Aryl cyclopropyl-amino-isoquinolinyl amide compounds | AERIE PHARMACEUTICALS, INC. (US) | 2020-12-08 | — | — | US | disclosed |
| EP-3009436-A1 | KINASE INHIBITORS AND METHODS OF USE | Intellikine, LLC (US) | 2016-04-20 | — | — | EP | disclosed |