⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12952155 | 1.00 | — | — | |
| SCHEMBL13871989 | 0.69 | — | — | |
| SCHEMBL8159411 | 0.67 | MAOA (0.30) | — | |
| SCHEMBL8153296 | 0.63 | KDM4E (0.33) | — | |
| SCHEMBL8158152 | 0.60 | PKN1 (0.33) | — | |
| SCHEMBL8150482 | 0.55 | — | — | |
| SCHEMBL8159408 | 0.54 | DAO (0.30) | — | |
| SCHEMBL8154810 | 0.52 | HIF1A (0.51) | — | |
| SCHEMBL13391138 | 0.52 | ACHE (0.56) | — | |
| SCHEMBL12844766 | 0.50 | MAOA (0.37) | — |
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-2008089453-A2 | INHIBITORS OF D-AMINO ACID OXIDASE | SEPRACOR INC. (US) | 2008-07-24 | — | — | WO | disclosed |