⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18722155 | 0.83 | EPHX1 (0.31) | — | |
| SCHEMBL4545266 | 0.77 | KEAP1 (0.48) | — | |
| SCHEMBL6289553 | 0.77 | — | — | |
| SCHEMBL1107279 | 0.77 | — | — | |
| SCHEMBL13411696 | 0.76 | KEAP1 (0.44) | — | |
| SCHEMBL15835883 | 0.75 | — | — | |
| SCHEMBL28196877 | 0.75 | — | — | |
| SCHEMBL19172568 | 0.75 | KEAP1 (0.47) | — | |
| SCHEMBL12838131 | 0.73 | LMNA (0.43) | — | |
| SCHEMBL868382 | 0.72 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20120149702-A1 | INHIBITORS OF CELLULAR NECROSIS | THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) | 2012-06-14 | — | — | US | disclosed |
| US-20080004282-A1 | Compositions and methods for modulating gated ion channels | PAINCEPTOR PHARMA CORPORATION (CA) | 2008-01-03 | — | — | US | disclosed |
| US-7273909-B2 | Polyethylene glycol aldehydes | HOFFMANN-LA ROCHE INC. (US) | 2007-09-25 | — | — | US | disclosed |