⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL553887 | 0.79 | ALDH1A1 (0.41) | — | |
| SCHEMBL28147784 | 0.77 | — | — | |
| SCHEMBL10380928 | 0.77 | — | — | |
| SCHEMBL17211987 | 0.72 | ALDH1A1 (0.45) | — | |
| SCHEMBL20202274 | 0.72 | ALDH1A1 (0.45) | — | |
| SCHEMBL11656961 | 0.72 | TDP1 (0.67) | — | |
| SCHEMBL28627746 | 0.72 | ALDH1A1 (0.45) | — | |
| Urea SCHEMBL9802243 | 0.72 | ALDH1A1 (0.60) | — | |
| Acrylamide SCHEMBL11851555 | 0.71 | ALDH1A1 (0.69) | — | |
| SCHEMBL18840596 | 0.70 | ALDH1A1 (0.43) | — |
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-2008100715-A1 | AZA-ISOINDOLONES AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR POTENTIATORS - 613 | ASTRAZENECA AB (SE) | 2008-08-21 | — | — | WO | disclosed |