⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6974652 | 1.00 | — | — | |
| SCHEMBL6974649 | 1.00 | — | — | |
| SCHEMBL27419763 | 0.88 | — | — | |
| SCHEMBL656620 | 0.81 | — | — | |
| SCHEMBL6987008 | 0.76 | — | — | |
| SCHEMBL660156 | 0.75 | ALOX5 (0.31) | — | |
| SCHEMBL6976213 | 0.75 | ALOX5 (0.31) | — | |
| SCHEMBL660010 | 0.75 | — | — | |
| SCHEMBL27478815 | 0.75 | — | — | |
| SCHEMBL8716835 | 0.73 | UTS2R (0.32) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0923575-B1 | CYCLIC ETHER COMPOUNDS AS SODIUM CHANNEL MODULATORS | TAKEDA CHEMICAL INDUSTRIES LTD (JP) | 2003-03-12 | — | — | EP | disclosed |
| US-6172085-B1 | CENTRAL NERVOUS SYSTEM AND PSYCHOLOGICAL DISORDERS | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 2001-01-09 | — | — | US | disclosed |