⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3357425 | 0.82 | — | — | |
| SCHEMBL3359103 | 0.82 | — | — | |
| SCHEMBL3777045 | 0.80 | NPSR1 (0.30) | — | |
| SCHEMBL3357636 | 0.79 | BACE1 (0.36) | — | |
| SCHEMBL3361547 | 0.76 | BACE1 (0.38) | — | |
| SCHEMBL3359617 | 0.75 | CHRNA1 (0.32) | — | |
| SCHEMBL3769871 | 0.75 | BACE1 (0.37) | — | |
| SCHEMBL3360854 | 0.74 | — | — | |
| SCHEMBL3358031 | 0.73 | CTSD (0.33) | — | |
| SCHEMBL3359125 | 0.73 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2010056194-A1 | 5H-PYRROLO [ 3, 4-B] PYRIDIN DERIVATIVES AND THEIR USE | ASTRAZENECA AB (SE) | 2010-05-20 | — | — | WO | disclosed |
| US-20100125081-A1 | NEW COMPOUNDS 574 | ASTRAZENECA AB (SE) | 2010-05-20 | — | — | US | disclosed |