⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3356717 | 0.92 | — | — | |
| SCHEMBL3358408 | 0.89 | OPRL1 (0.30) | — | |
| SCHEMBL3356522 | 0.87 | — | — | |
| SCHEMBL3358104 | 0.86 | BACE1 (0.32) | — | |
| SCHEMBL3358487 | 0.85 | ALOX5AP (0.31) | — | |
| SCHEMBL3357945 | 0.78 | BACE1 (0.33) | — | |
| SCHEMBL3359125 | 0.77 | — | — | |
| SCHEMBL3358987 | 0.77 | BACE1 (0.31) | — | |
| SCHEMBL3357766 | 0.74 | BACE1 (0.41) | — | |
| SCHEMBL3360050 | 0.73 | BACE1 (0.35) | — |
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 |