⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL43352 | 0.97 | — | — | |
| Water SCHEMBL8015768 | 0.97 | — | — | |
| SCHEMBL27654076 | 0.94 | — | — | |
| SCHEMBL8672502 | 0.94 | — | — | |
| Zinc Chloride SCHEMBL29025482 | 0.89 | LMNA (0.32) | — | |
| SCHEMBL27917432 | 0.87 | LMNA (0.30) | — | |
| SCHEMBL28328512 | 0.87 | LMNA (0.30) | — | |
| SCHEMBL27621453 | 0.78 | — | — | |
| SCHEMBL1135190 | 0.77 | — | — | |
| SCHEMBL61531 | 0.74 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1972938-B | Cyclic amine compound | TAISHO PHARMACEUTICAL CO LTD | 2010-09-29 | — | — | CN | disclosed |
| CN-100467468-C | Triaza-spiropiperidine derivatives for use as GLYT-1 inhibitors in the treatment of neurological and neuropsychiatric disorders | HOFFMANN LA ROCHE (CH) | 2009-03-11 | — | — | CN | disclosed |
| CN-1972938-A | Cyclic amine compound | TAISHO PHARMACEUTICAL CO LTD (JP) | 2007-05-30 | — | — | CN | disclosed |
| CN-1871238-A | Triaza-spiropiperidine derivatives for use as GLYT-1 inhibitors in the treatment of neurological and neuropsychiatric disorders | HOFFMANN LA ROCHE (CH) | 2006-11-29 | — | — | CN | disclosed |