⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16676610 | 0.80 | — | — | |
| SCHEMBL20153153 | 0.69 | — | — | |
| SCHEMBL22812179 | 0.69 | — | — | |
| SCHEMBL21158880 | 0.69 | — | — | |
| SCHEMBL20069489 | 0.69 | — | — | |
| SCHEMBL23555261 | 0.69 | — | — | |
| SCHEMBL25165115 | 0.67 | — | — | |
| SCHEMBL23555142 | 0.66 | — | — | |
| SCHEMBL21599172 | 0.65 | — | — | |
| SCHEMBL18862641 | 0.65 | — | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-4289428-A1 | NITROGEN-CONTAINING POLYCYCLIC FUSED RING COMPOUND, PHARMACEUTICAL COMPOSITION THEREOF, PREPARATION METHOD THEREFOR, AND USE THEREOF | Applied Pharmaceutical Science, Inc. (CN) | 2023-12-13 | — | — | EP | disclosed |
| WO-2023280073-A1 | METHOD FOR PREPARING NITROGEN-CONTAINING POLYCYCLIC FUSED RING COMPOUND, AND INTERMEDIATE AND USE OF COMPOUND | 北京志健金瑞生物医药科技有限公司 | 2023-01-12 | — | — | WO | disclosed |
| WO-2022262797-A1 | COMBINATION OF AN ERK INHIBITOR AND A KRAS INHIBITOR AND USES THEREOF | SHANGHAI ANTENGENE CORPORATION LIMITED (CN) | 2022-12-22 | — | — | WO | disclosed |
| US-20220218700-A1 | COMBINATION OF AN ?2-ADRENOCEPTOR SUBTYPE C (ALPHA-2C) ANTAGONISTS WITH A TASK1/3 CHANNEL BLOCKER FOR THE TREATMENT OF SLEEP APNEA | BAYER AKTIENGESELLSCHAFT (DE) | 2022-07-14 | — | — | US | disclosed |
| EP-3992197-A1 | NITROGEN-CONTAINING POLYCYCLIC FUSED RING COMPOUNDS, AND PHARMACEUTICAL COMPOSITION THEREOF, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF | Applied Pharmaceutical Science, Inc. (CN) | 2022-05-04 | — | — | EP | disclosed |
| WO-2022012623-A1 | DEGRADATION OF (EGFR) BY CONJUGATION OF EGFR INHIBITORS WITH E3 LIGASE LIGAND AND METHODS OF USE | BEIGENE, LTD. (KY) | 2022-01-20 | — | — | WO | disclosed |
| EP-3845531-A1 | SUBSTITUTED PYRAZOLE FUSED RING DERIVATIVE, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF | Applied Pharmaceutical Science, Inc. (CN) | 2021-07-07 | — | — | EP | disclosed |
| WO-2021023209-A1 | NITROGEN-CONTAINING POLYCYCLIC FUSED RING COMPOUNDS, AND PHARMACEUTICAL COMPOSITION THEREOF, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF | 北京志健金瑞生物医药科技有限公司 | 2021-02-11 | — | — | WO | disclosed |