⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13688106 | 0.78 | — | — | |
| SCHEMBL10570548 | 0.73 | — | — | |
| SCHEMBL2480054 | 0.71 | — | — | |
| SCHEMBL243965 | 0.71 | — | — | |
| SCHEMBL2540229 | 0.71 | — | — | |
| SCHEMBL10078960 | 0.69 | — | — | |
| SCHEMBL6048604 | 0.69 | — | — | |
| SCHEMBL19052288 | 0.69 | — | — | |
| SCHEMBL13840590 | 0.69 | CHRM2 (0.45) | — | |
| SCHEMBL239749 | 0.69 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| JP-9286785-A | — | — | None | — | — | JP | disclosed |
| WO-2023205778-A1 | HETEROARYL COMPOUNDS FOR THE TREATMENT OF PAIN | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2023-10-26 | — | — | WO | disclosed |
| US-5750730-A | ELECTROCONDUCTIVE MIXTURE WITH IMPROVED DURABILITY FOR LITHIUM BATTERIES | SANYO CHEMICAL INDUSTRIES, LTD. (JP) | 1998-05-12 | — | — | US | disclosed |
| JP-H09286785-A | FLUORINE-CONTAINING DIOXOLANE, ORGANIC SOLVENT FOR ELECTROLYSIS, LITHIUM SECONDARY CELL AND ELECTRIC DOUBLE LAYER CAPACITOR | SANYO CHEM IND LTD | 1997-11-04 | — | — | JP | disclosed |