⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12023604 | 0.79 | — | — | |
| SCHEMBL29419590 | 0.75 | — | — | |
| SCHEMBL40336 | 0.75 | — | — | |
| SCHEMBL406747 | 0.75 | — | — | |
| SCHEMBL24351813 | 0.72 | ALDH1A1 (0.48) | — | |
| SCHEMBL16067242 | 0.72 | — | — | |
| SCHEMBL2945910 | 0.72 | S100A4 (0.46) | — | |
| SCHEMBL3735885 | 0.72 | ALDH1A1 (0.43) | — | |
| SCHEMBL171133 | 0.72 | — | — | |
| SCHEMBL29557444 | 0.72 | — | — |
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-20220389035-A1 | BORON-CONTAINING RHO KINASE INHIBITORS | PERCIPIAD, INC. | 2022-12-08 | — | — | US | disclosed |
| WO-2003055478-A1 | GLYT1 TRANSPORTER INHIBITORS AND USES THEREOF IN TREATMENT OF NEUROLOGICAL AND NEUROPSYCHIATRIC DISORDERS | SMITHKLINE BEECHAM P.L.C. (GB) | 2003-07-10 | — | — | WO | disclosed |