⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL30511 | 1.00 | — | — | |
| SCHEMBL9279532 | 1.00 | — | — | |
| SCHEMBL1254524 | 1.00 | — | — | |
| SCHEMBL4452609 | 1.00 | — | — | |
| SCHEMBL4450273 | 1.00 | — | — | |
| SCHEMBL17681496 | 1.00 | — | — | |
| SCHEMBL9047529 | 1.00 | — | — | |
| SCHEMBL24870211 | 0.97 | MBTD1 (0.39) | — | |
| SCHEMBL2378409 | 0.97 | MBTD1 (0.39) | — | |
| Lithium SCHEMBL29834968 | 0.97 | MBTD1 (0.39) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2012002583-A1 | METHOD FOR TREATING SCHIZOPHRENIA AND RELATED DISEASES WITH A COMBINATION THERAPY | VANDERBILT UNIVERSITY (US) | 2012-01-05 | — | — | WO | disclosed |