⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21016902 | 0.81 | PIK3CA (0.32) | — | |
| SCHEMBL24300093 | 0.76 | CTSV (0.33) | — | |
| SCHEMBL20548700 | 0.75 | — | — | |
| SCHEMBL21476231 | 0.73 | — | — | |
| SCHEMBL4847298 | 0.73 | NPC1 (0.40) | — | |
| SCHEMBL15873315 | 0.70 | SLC6A2 (0.39) | — | |
| SCHEMBL19364761 | 0.68 | CHRM2 (0.31) | — | |
| SCHEMBL25071302 | 0.66 | SMN1; SMN2 (0.53) | — | |
| SCHEMBL13964321 | 0.64 | — | — | |
| SCHEMBL19674253 | 0.64 | — | — |
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-11225493-B2 | Immunoproteasome inhibitors | PRINCIPIA BIOPHARMA INC. (US) | 2022-01-18 | — | — | US | disclosed |
| US-20200277312-A1 | IMMUNOPROTEASOME INHIBITORS | PRINCIPIA BIOPHARMA INC. | 2020-09-03 | — | — | US | disclosed |