⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL25584735 | 0.79 | EPHX1 (0.37) | — | |
| SCHEMBL6625522 | 0.79 | — | — | |
| SCHEMBL19045071 | 0.79 | — | — | |
| SCHEMBL10639698 | 0.79 | — | — | |
| SCHEMBL15259343 | 0.78 | EPHX1 (0.36) | — | |
| SCHEMBL3605272 | 0.76 | USP2 (0.36) | — | |
| SCHEMBL25467291 | 0.74 | SLC22A1 (0.36) | — | |
| SCHEMBL22031261 | 0.73 | — | — | |
| SCHEMBL14431939 | 0.73 | — | — | |
| SCHEMBL19986855 | 0.72 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2023121413-A1 | NOVEL BICYCLIC HETEROCYCLYL COMPOUND AND USE THEREOF | 제일약품주식회사 | 2023-06-29 | — | — | WO | disclosed |
| WO-2021259077-A1 | SUBSTITUTED PYRAZINE COMPOUND, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND USE THEREOF | 四川科伦博泰生物医药股份有限公司 | 2021-12-30 | — | — | WO | disclosed |
| US-10519146-B2 | KRAS G12C inhibitors and methods of using the same | AMGEN INC. (US) | 2019-12-31 | — | — | US | disclosed |
| US-20170305922-A1 | CARM1 INHIBITORS AND USES THEREOF | Epizyme, Inc. (US) | 2017-10-26 | — | — | US | disclosed |
| EP-2114925-B1 | AZETIDINE ANALOGUES OF NUCLEOSIDASE AND PHOSPHORYLASE INHIBITORS | IND RES LTD (NZ) | 2012-04-11 | — | — | EP | disclosed |