⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL963387 | 0.91 | CYP17A1 (0.31) | — | |
| SCHEMBL962032 | 0.90 | AXL (0.33) | — | |
| SCHEMBL961782 | 0.90 | TRPA1 (0.33) | — | |
| SCHEMBL960839 | 0.90 | — | — | |
| SCHEMBL965146 | 0.88 | AXL (0.33) | — | |
| SCHEMBL964675 | 0.84 | PDE2A (0.32) | — | |
| SCHEMBL961955 | 0.79 | AXL (0.31) | — | |
| SCHEMBL966996 | 0.77 | UGT1A1 (0.41) | — | |
| SCHEMBL1001606 | 0.77 | — | — | |
| SCHEMBL966985 | 0.76 | PSEN1 (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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2379553-B1 | BICYCLIC COMPOUNDS FOR THE REDUCTION OF BETA-AMYLOID PRODUCTION | BRISTOL MYERS SQUIBB CO (US) | 2013-06-26 | — | — | EP | disclosed |
| US-8349880-B2 | Bicyclic compounds for the reduction of beta-amyloid production | BRISTOL-MYERS SQUIBB COMPANY (US) | 2013-01-08 | — | — | US | disclosed |
| US-20110015175-A1 | Bicyclic Compounds for the Reduction of Beta-Amyloid Production | BRISTOL-MYERS SQUIBB COMPANY | 2011-01-20 | — | — | US | disclosed |