⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2870407 | 1.00 | — | — | |
| SCHEMBL26789069 | 0.94 | NCF1 (0.46) | — | |
| SCHEMBL21271537 | 0.94 | NCF1 (0.43) | — | |
| SCHEMBL2279449 | 0.94 | NCF1 (0.43) | — | |
| SCHEMBL13213202 | 0.91 | NCF1 (0.42) | — | |
| SCHEMBL15448046 | 0.90 | NCF1 (0.34) | — | |
| SCHEMBL12440194 | 0.89 | ALDH1A1 (0.42) | — | |
| SCHEMBL443188 | 0.89 | ALDH1A1 (0.42) | — | |
| SCHEMBL255094 | 0.89 | ALDH1A1 (0.42) | — | |
| SCHEMBL1776518 | 0.89 | ALDH1A1 (0.42) | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2022090711-A1 | COMPOUNDS AS CD73 INHIBITORS | AdoRx Therapeutics Limited (GB) | 2022-05-05 | — | — | WO | disclosed |
| US-11319317-B2 | (Hetero)arylamide compound for inhibiting protein kinase activity | SHENZHEN TARGETRX, INC. (CN) | 2022-05-03 | — | — | US | disclosed |
| WO-2021222522-A1 | CD73 INHIBITING 2,4-DIOXOPYRIMIDINE COMPOUNDS | GILEAD SCIENCES, INC. (US) | 2021-11-04 | — | — | WO | disclosed |
| EP-3193604-B1 | SUBSTITUTED N-(PYRROLIDIN-3-YL)ISOXAZOLE-3-CARBOXAMIDE COMPOUNDS | EPIZYME INC (US) | 2021-06-16 | — | — | EP | disclosed |
| US-20210171517-A1 | (HETERO)ARYLAMIDE COMPOUND FOR INHIBITING PROTEIN KINASE ACTIVITY | SHENZHEN TARGETRX, INC. (CN) | 2021-06-10 | — | — | US | disclosed |
| US-10662204-B2 | Substituted quinazoline and pyridopyrimidine derivatives useful as anticancer agents | PFIZER INC. (US) | 2020-05-26 | — | — | US | disclosed |
| US-20190233440-A1 | Substituted Quinazoline and Pyridopyrimidine Derivatives Useful as Anticancer Agents | PFIZER INC. (US) | 2019-08-01 | — | — | US | disclosed |