⚠ 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 | |
|---|---|---|---|---|
| Oxalic Acid SCHEMBL6981322 | 0.95 | HRH1 (0.32) | — | |
| SCHEMBL6980205 | 0.81 | CARM1 (0.43) | — | |
| SCHEMBL6983930 | 0.80 | CHRM2 (0.43) | — | |
| SCHEMBL7811043 | 0.79 | DRD2 (0.43) | — | |
| SCHEMBL6981562 | 0.79 | DRD2 (0.43) | — | |
| SCHEMBL6981384 | 0.79 | DRD2 (0.43) | — | |
| Hydrochloric Acid SCHEMBL6985847 | 0.78 | DRD2 (0.42) | — | |
| Bromide SCHEMBL7811677 | 0.78 | DRD2 (0.42) | — | |
| Bromide SCHEMBL7811682 | 0.78 | DRD2 (0.42) | — | |
| Hydrochloric Acid SCHEMBL7811763 | 0.78 | DRD2 (0.42) | — |
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 |