⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1324526 | 0.67 | — | — | |
| SCHEMBL191884 | 0.67 | GRIN2D (0.41) | — | |
| SCHEMBL3666801 | 0.67 | — | — | |
| SCHEMBL3061818 | 0.67 | — | — | |
| SCHEMBL1054419 | 0.67 | — | — | |
| SCHEMBL2834102 | 0.67 | SLC22A2 (0.39) | — | |
| SCHEMBL2239665 | 0.63 | SLC22A2 (0.36) | — | |
| SCHEMBL21401948 | 0.63 | SLC22A2 (0.36) | — | |
| SCHEMBL10791429 | 0.63 | SLC22A2 (0.36) | — | |
| SCHEMBL11179660 | 0.62 | SLC22A2 (0.30) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1966168-A1 | COMPOUND HAVING ISOCYANATE FUNCTIONALITY, PREPARATION THEREOF AND USE THEREOF IN A PROCESS FOR PREPARING A COATING | Rhodia Opérations (FR) | 2008-09-10 | — | — | EP | disclosed |
| WO-2007060251-A1 | COMPOUND HAVING ISOCYANATE FUNCTIONALITY, PREPARATION THEREOF AND USE THEREOF IN A PROCESS FOR PREPARING A COATING | RHODIA OPERATIONS (FR) | 2007-05-31 | — | — | WO | disclosed |