⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19011594 | 0.81 | KDM4E (0.33) | — | |
| SCHEMBL17233316 | 0.81 | HRH3 (0.42) | — | |
| SCHEMBL25481364 | 0.80 | — | — | |
| SCHEMBL18849837 | 0.79 | — | — | |
| SCHEMBL21233253 | 0.78 | — | — | |
| SCHEMBL20757582 | 0.75 | — | — | |
| SCHEMBL20259226 | 0.74 | — | — | |
| SCHEMBL17176549 | 0.73 | HRH3 (0.33) | — | |
| SCHEMBL17176550 | 0.73 | KMT2A (0.43) | — | |
| SCHEMBL17233315 | 0.73 | DRD2 (0.31) | — |
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 4 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 |
| US-9688676-B2 | Tyrosine kinase inhibitors | PRINCIPIA BIOPHARMA INC. (US) | 2017-06-27 | — | — | US | disclosed |
| US-20170129890-A1 | TYROSINE KINASE INHIBITORS | PRINCIPIA BIOPHARMA INC. (US) | 2017-05-11 | — | — | US | disclosed |