⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3075677 | 0.72 | — | — | |
| SCHEMBL9851264 | 0.64 | — | — | |
| SCHEMBL1266161 | 0.64 | — | — | |
| SCHEMBL8227429 | 0.63 | — | — | |
| SCHEMBL8227166 | 0.63 | — | — | |
| SCHEMBL602269 | 0.62 | — | — | |
| SCHEMBL17305005 | 0.61 | — | — | |
| SCHEMBL11081242 | 0.60 | — | — | |
| SCHEMBL4872377 | 0.60 | DYRK1A (0.32) | — | |
| SCHEMBL2691142 | 0.60 | — | — |
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-20210395231-A1 | RECEPTOR INHIBITORS, PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME AND USE THEREOF | BEIJING TIDE PHARMACEUTICAL CO., LTD. (CN) | 2021-12-23 | — | — | US | disclosed |
| US-20090209528-A1 | SUBSTITUTED TETRAHYDROISOQUINOLINE COMPOUND, THEIR PREPARATION AND USE IN MEDICAMENTS | LABORATORIOS DEL DR. ESTEVE S.A. (ES) | 2009-08-20 | — | — | US | disclosed |
| US-20090209528-A1 | SUBSTITUTED TETRAHYDROISOQUINOLINE COMPOUND, THEIR PREPARATION AND USE IN MEDICAMENTS | LABORATORIOS DEL DR. ESTEVE S.A. (ES) | 2009-08-20 | — | — | US | disclosed |