⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10974052 | 1.00 | — | — | |
| SCHEMBL7686320 | 1.00 | — | — | |
| SCHEMBL4657795 | 0.80 | — | — | |
| SCHEMBL7480125 | 0.77 | — | — | |
| SCHEMBL17298108 | 0.77 | — | — | |
| SCHEMBL10746396 | 0.74 | — | — | |
| SCHEMBL10746399 | 0.74 | — | — | |
| SCHEMBL16081746 | 0.74 | GRIK1 (0.36) | — | |
| SCHEMBL8475356 | 0.72 | KDM4E (0.33) | — | |
| SCHEMBL8475360 | 0.72 | KDM4E (0.33) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20020045635-A1 | Novel mGluR antagonists and a method for their synthesis | HOFFMANN-LA ROCHE, INC. | 2002-04-18 | — | — | US | disclosed |
| US-6369222-B1 | NITRO- AND CYANO-1,2,4,5-TETRAHYDRO-HETEROCYCLOAZEPINYL PYRIMIDINE DERIVATIVES; BRAIN, EYE, MUSCULAR, PSYCHOLOGICAL AND NERVOUS SYSTEM DISORDERS | HOFFMANN-LA ROCHE INC. | 2002-04-09 | — | — | US | disclosed |