⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6984924 | 0.85 | — | — | |
| SCHEMBL6978968 | 0.84 | — | — | |
| SCHEMBL8718923 | 0.84 | — | — | |
| SCHEMBL8714063 | 0.79 | ALDH1A1 (0.32) | — | |
| SCHEMBL8713305 | 0.78 | — | — | |
| SCHEMBL8713512 | 0.78 | — | — | |
| SCHEMBL8717996 | 0.77 | NR1I2 (0.32) | — | |
| SCHEMBL8716453 | 0.76 | — | — | |
| SCHEMBL8596873 | 0.76 | MAPT (0.41) | — | |
| SCHEMBL8713728 | 0.75 | — | — |
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 |