⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23394209 | 0.85 | — | — | |
| SCHEMBL25844821 | 0.83 | PIK3CD (0.37) | — | |
| SCHEMBL21569008 | 0.83 | PIK3CD (0.37) | — | |
| SCHEMBL16653813 | 0.77 | MAPT (0.32) | — | |
| SCHEMBL8169148 | 0.72 | — | — | |
| SCHEMBL22240475 | 0.72 | — | — | |
| SCHEMBL31143647 | 0.72 | PYCR1 (0.38) | — | |
| SCHEMBL23173313 | 0.70 | KDM4A (0.31) | — | |
| SCHEMBL1458708 | 0.69 | — | — | |
| SCHEMBL2535305 | 0.69 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3922630-A1 | BENZIMIDAZOLE DERIVATIVES AS ERBB TYROSINE KINASE INHIBITORS FOR THE TREATMENT OF CANCER | Capella Therapeutics, Inc. (US) | 2021-12-15 | — | — | EP | disclosed |
| EP-3119762-B9 | BENZIMIDAZOLE DERIVATIVES AS ERBB TYROSINE KINASE INHIBITORS FOR THE TREATMENT OF CANCER | CAPELLA THERAPEUTICS INC (US) | 2021-10-20 | — | — | EP | disclosed |