⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2394562 | 0.97 | EPHX1 (0.39) | — | |
| SCHEMBL6880531 | 0.97 | EPHX1 (0.39) | — | |
| SCHEMBL4624168 | 0.74 | NCF1 (0.37) | — | |
| SCHEMBL15045495 | 0.74 | — | — | |
| SCHEMBL4042923 | 0.72 | — | — | |
| SCHEMBL7140449 | 0.72 | — | — | |
| SCHEMBL15045503 | 0.72 | — | — | |
| SCHEMBL7139260 | 0.70 | EPHX1 (0.34) | — | |
| SCHEMBL4040242 | 0.70 | EPHX1 (0.41) | — | |
| SCHEMBL5646565 | 0.70 | EPHX1 (0.41) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9245290-B2 | Caspase inhibitors and uses thereof | BUCK INSTITUTE FOR RESEARCH ON AGING (US) | 2016-01-26 | — | — | US | disclosed |
| US-20140011847-A1 | CASPASE INHIBITORS AND USES THEREOF | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 2014-01-09 | — | — | US | disclosed |
| US-8518942-B2 | Caspase inhibitors and uses thereof | BUCK INSTITUTE FOR RESEARCH ON AGING (US) | 2013-08-27 | — | — | US | disclosed |
| US-20110230527-A1 | CASPASE INHIBITORS AND USES THEREOF | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA | 2011-09-22 | — | — | US | disclosed |