⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22401628 | 0.73 | MEN1 (0.35) | — | |
| SCHEMBL25989147 | 0.71 | — | — | |
| SCHEMBL1396533 | 0.69 | — | — | |
| Sulfuric Acid SCHEMBL27667378 | 0.69 | CA5A (0.38) | — | |
| SCHEMBL776540 | 0.69 | — | — | |
| SCHEMBL27651067 | 0.67 | — | — | |
| SCHEMBL3620813 | 0.65 | — | — | |
| SCHEMBL3536247 | 0.65 | — | — | |
| SCHEMBL8071112 | 0.65 | — | — | |
| SCHEMBL11130238 | 0.65 | ENPP2 (0.46) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9045524-B2 | Selective caspase inhibitors and uses thereof | NOVAGENESIS FOUNDATION (CH) | 2015-06-02 | — | — | US | disclosed |
| US-20120157394-A1 | SELECTIVE CASPASE INHIBITORS AND USES THEREOF | NEW WORLD LABORATORIES, INC. (CA) | 2012-06-21 | — | — | US | disclosed |