⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL25991095 | 0.79 | — | — | |
| SCHEMBL23419234 | 0.75 | — | — | |
| SCHEMBL25987638 | 0.70 | — | — | |
| SCHEMBL25987640 | 0.70 | — | — | |
| SCHEMBL25987604 | 0.65 | — | — | |
| SCHEMBL297286 | 0.63 | — | — | |
| SCHEMBL29802453 | 0.63 | — | — | |
| Propane SCHEMBL7031062 | 0.61 | — | — | |
| SCHEMBL6225335 | 0.61 | — | — | |
| SCHEMBL1110029 | 0.60 | — | — |
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-20230202974-A1 | CASPASE 6 INHIBITORS AND USES THEREOF | UNIV CALIFORNIA (US) | 2023-06-29 | — | — | US | disclosed |
| US-20230202974-A1 | CASPASE 6 INHIBITORS AND USES THEREOF | UNIV CALIFORNIA (US) | 2023-06-29 | — | — | US | disclosed |