⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL30349775 | 0.84 | — | — | |
| SCHEMBL28593585 | 0.72 | — | — | |
| SCHEMBL19992463 | 0.69 | NOS3 (0.30) | — | |
| SCHEMBL17257754 | 0.69 | — | — | |
| SCHEMBL35314 | 0.69 | — | — | |
| SCHEMBL8468741 | 0.67 | — | — | |
| SCHEMBL1660786 | 0.67 | — | — | |
| SCHEMBL12388738 | 0.67 | — | — | |
| SCHEMBL6589917 | 0.67 | — | — | |
| SCHEMBL21646389 | 0.63 | — | — |
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-2970224-B1 | TRIPEPTIDE EPOXY KETONE PROTEASE INHIBITORS | ONYX THERAPEUTICS INC (US) | 2017-09-06 | — | — | EP | disclosed |
| US-8912193-B2 | Dry powder inhaler and system for drug delivery | MANNKIND CORPORATION (US) | 2014-12-16 | — | — | US | disclosed |
| WO-2014152134-A1 | TRIPEPTIDE EPOXY KETONE PROTEASE INHIBITORS | ONYX THERAPEUTICS, INC. (US) | 2014-09-25 | — | — | WO | disclosed |