⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL78201 | 0.71 | — | — | |
| SCHEMBL14631330 | 0.71 | — | — | |
| SCHEMBL2518191 | 0.71 | — | — | |
| SCHEMBL617665 | 0.71 | — | — | |
| SCHEMBL617664 | 0.71 | — | — | |
| SCHEMBL617929 | 0.71 | — | — | |
| SCHEMBL14826521 | 0.71 | PRKAB2 (0.36) | — | |
| SCHEMBL14827921 | 0.69 | — | — | |
| SCHEMBL19192541 | 0.69 | — | — | |
| SCHEMBL31579159 | 0.68 | GAA (0.31) | — |
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-20110117106-A1 | USES OF CALPAIN INHIBITORS TO INHIBIT INFLAMMATION | THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK | 2011-05-19 | — | — | US | disclosed |
| WO-2009145956-A2 | USES OF CALPAIN INHIBITORS TO INHIBIT INFLAMMATION | THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) | 2009-12-03 | — | — | WO | disclosed |
| US-20060234971-A1 | Calpains as targets for inhibition of prion propagation | UNIVERSITY OF KENTUCKY (US) | 2006-10-19 | — | — | US | disclosed |