⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL26014341 | 0.75 | — | — | |
| SCHEMBL27660433 | 0.71 | HDAC8 (0.35) | — | |
| SCHEMBL18237629 | 0.65 | MAPT (0.34) | — | |
| SCHEMBL28670158 | 0.61 | ALDH1A1 (0.31) | — | |
| SCHEMBL31272030 | 0.59 | MAPT (0.39) | — | |
| SCHEMBL21937291 | 0.57 | KDR (0.31) | — | |
| SCHEMBL1638461 | 0.57 | PDXK (0.43) | — | |
| SCHEMBL18911804 | 0.56 | TP53 (0.36) | — | |
| SCHEMBL24198346 | 0.56 | PDE4B (0.32) | — | |
| SCHEMBL30821218 | 0.56 | PDXK (0.39) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-4180434-A1 | PB2 INHIBITOR, AND PREPARATION METHOD THEREFOR AND USE THEREOF | Sichuan Haisco Pharmaceutical Co., Ltd. (CN) | 2023-05-17 | — | — | EP | disclosed |
| WO-2022007966-A1 | PB2 INHIBITOR, AND PREPARATION METHOD THEREFOR AND USE THEREOF | 四川海思科制药有限公司 | 2022-01-13 | — | — | WO | disclosed |