⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL25822465 | 0.74 | — | — | |
| SCHEMBL28188693 | 0.73 | — | — | |
| SCHEMBL24448453 | 0.70 | — | — | |
| SCHEMBL16707763 | 0.66 | NCF1 (0.32) | — | |
| Hydrochloric Acid SCHEMBL8679452 | 0.64 | — | — | |
| SCHEMBL12212555 | 0.62 | SMN1; SMN2 (0.33) | — | |
| SCHEMBL2019687 | 0.61 | CYP1A2 (0.32) | — | |
| SCHEMBL1374012 | 0.61 | — | — | |
| SCHEMBL4951366 | 0.59 | — | — | |
| SCHEMBL18272421 | 0.59 | CHRM2 (0.33) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20230219986-A1 | NOVEL AMINOPYRIMIDINE EGFR INHIBITOR | QILU PHARMACEUTICAL CO., LTD. (CN) | 2023-07-13 | — | — | US | disclosed |