⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14032355 | 0.80 | TSHR (0.38) | — | |
| SCHEMBL10600029 | 0.77 | — | — | |
| SCHEMBL7057376 | 0.76 | LMNA (0.45) | — | |
| SCHEMBL1712975 | 0.75 | TSHR (0.38) | — | |
| SCHEMBL2261658 | 0.73 | MAPT (0.39) | — | |
| SCHEMBL9419234 | 0.73 | — | — | |
| SCHEMBL27490503 | 0.73 | MAPT (0.39) | — | |
| SCHEMBL1712782 | 0.73 | MAPT (0.39) | — | |
| SCHEMBL9430953 | 0.72 | ALDH1A1 (0.46) | — | |
| SCHEMBL20585911 | 0.72 | HIF1A (0.35) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2014065413-A1 | TRIAZOLE-ISOXAZOLE COMPOUND AND MEDICAL USE THEREOF | 日本たばこ産業株式会社 (JP) | 2014-05-01 | — | — | WO | disclosed |
| US-20110052696-A1 | DENDRIMERS WITH INTERIOR AND EXTERIOR FUNCTIONALITIES COMPRISING OF AZIDE OR ALKYNE GROUPS FOR POST-FUNCTIONALIZATION BY THE HUISGEN CLICK CYCLOADDITION | POLYMER FACTORY SWEDEN AB (SE) | 2011-03-03 | — | — | US | disclosed |