⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3545626 | 0.78 | — | — | |
| SCHEMBL7443022 | 0.75 | — | — | |
| SCHEMBL1687039 | 0.75 | — | — | |
| SCHEMBL2489118 | 0.75 | — | — | |
| Hydrochloric Acid SCHEMBL29001926 | 0.73 | — | — | |
| Hydrochloric Acid SCHEMBL11390402 | 0.73 | — | — | |
| Hydrochloric Acid SCHEMBL29001924 | 0.73 | — | — | |
| SCHEMBL17826592 | 0.70 | — | — | |
| SCHEMBL30779184 | 0.68 | BLM (0.33) | — | |
| Sulfuric Acid SCHEMBL1686757 | 0.67 | BLM (0.36) | — |
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-8173600-B2 | Caspase-2 inhibitors and their biological applications | CHIESI FARMACEUTICI S.P.A. (IT) | 2012-05-08 | — | — | US | disclosed |
| US-20080311051-A1 | Caspase-2 Inhibitors And Their Biological Applications | THERAPTOSIS SA (FR) | 2008-12-18 | — | — | US | disclosed |