⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11053976 | 0.74 | — | — | |
| SCHEMBL548372 | 0.69 | MAPK1 (0.31) | — | |
| SCHEMBL6427566 | 0.69 | — | — | |
| SCHEMBL1478221 | 0.67 | MAPK1 (0.34) | — | |
| SCHEMBL4515851 | 0.63 | ADRB1 (0.36) | — | |
| SCHEMBL19079897 | 0.60 | — | — | |
| SCHEMBL10404 | 0.59 | — | — | |
| SCHEMBL5904396 | 0.59 | — | — | |
| SCHEMBL357772 | 0.58 | — | — | |
| SCHEMBL7889569 | 0.58 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-119212988-A | Kinesin KIF18A inhibitor and application thereof | 上海湃隆生物科技有限公司 | 2024-12-27 | — | — | CN | disclosed |
| EP-4376841-A1 | PYRROLO[2,3-B]PYRIDINE PGDH INHIBITORS AND METHODS OF MAKING AND USING | Epirium Bio Inc. (US) | 2024-06-05 | — | — | EP | disclosed |
| WO-2023217230-A1 | KINESIN KIF18A INHIBITOR AND USE THEREOF | 上海湃隆生物科技有限公司 | 2023-11-16 | — | — | WO | disclosed |
| WO-2023009642-A1 | PYRROLO[2,3-B]PYRIDINE PGDH INHIBITORS AND METHODS OF MAKING AND USING | EPIRIUM BIO INC. (US) | 2023-02-02 | — | — | WO | disclosed |