⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7221897 | 0.76 | — | — | |
| SCHEMBL6902342 | 0.72 | — | — | |
| SCHEMBL16748840 | 0.70 | — | — | |
| SCHEMBL31276128 | 0.70 | — | — | |
| SCHEMBL18726715 | 0.69 | — | — | |
| SCHEMBL16079592 | 0.68 | — | — | |
| SCHEMBL7929543 | 0.68 | — | — | |
| SCHEMBL13700166 | 0.68 | — | — | |
| SCHEMBL13473991 | 0.68 | — | — | |
| SCHEMBL6900982 | 0.68 | — | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-4362978-A1 | IL4I1 INHIBITORS AND METHODS OF USE | Merck Sharp & Dohme LLC (US) | 2024-05-08 | — | — | EP | disclosed |
| WO-2023278222-A1 | IL4I1 INHIBITORS AND METHODS OF USE | MERCK SHARP & DOHME LLC (US) | 2023-01-05 | — | — | WO | disclosed |
| CN-106117213-B | Heteroaryl compounds and methods for their synthesis and purification | 西格诺药品有限公司 | 2022-03-18 | — | — | CN | disclosed |
| WO-2014182929-A1 | BENZIMIDAZOLE DERIVATIVES AS BROMODOMAIN INHIBITORS | GILEAD SCIENCES, INC. (US) | 2014-11-13 | — | — | WO | disclosed |
| US-8188071-B2 | Amino substituted pyridines as potent kinase inhibitors | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2012-05-29 | — | — | US | disclosed |
| US-20090124602-A1 | KINASE INHIBITORS | VERTEX PHARMACEUTICALS INCORPORATED | 2009-05-14 | — | — | US | disclosed |