⚠ 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 | |
|---|---|---|---|---|
| Oxalic Acid SCHEMBL30335549 | 0.84 | MEN1 (0.33) | — | |
| Trifluoroacetic Acid SCHEMBL21712920 | 0.84 | — | — | |
| Trifluoroacetic Acid SCHEMBL28647789 | 0.84 | CYP2D6 (0.38) | — | |
| SCHEMBL22246149 | 0.82 | MEN1 (0.34) | — | |
| Trifluoroacetic Acid SCHEMBL29589461 | 0.81 | — | — | |
| Trifluoroacetic Acid SCHEMBL30296940 | 0.80 | HSD17B10 (0.31) | — | |
| Trifluoroacetic Acid SCHEMBL31439473 | 0.80 | — | — | |
| Hydrochloric Acid SCHEMBL21724992 | 0.80 | MEN1 (0.33) | — | |
| Trifluoroacetic Acid SCHEMBL29877879 | 0.79 | CYP1A2 (0.35) | — | |
| Trifluoroacetic Acid SCHEMBL30122206 | 0.75 | TSHR (0.34) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113677680-B | EGFR inhibitor, composition and application thereof | 贝达药业股份有限公司 | 2024-05-10 | — | — | CN | disclosed |
| CN-113302196-B | EGFR inhibitor, composition and application thereof | 贝达药业股份有限公司 | 2023-08-04 | — | — | CN | disclosed |
| US-20220064196-A1 | EGFR Inhibitors, Compositions and Methods Thereof | BETTA PHARMACEUTICALS CO., LTD. (CN) | 2022-03-03 | — | — | US | disclosed |