⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18948731 | 1.00 | — | — | |
| SCHEMBL24486545 | 0.99 | — | — | |
| SCHEMBL18737514 | 0.99 | — | — | |
| SCHEMBL24486511 | 0.99 | — | — | |
| SCHEMBL18948713 | 0.96 | — | — | |
| SCHEMBL18469898 | 0.96 | — | — | |
| SCHEMBL22420058 | 0.93 | — | — | |
| SCHEMBL24690499 | 0.87 | CNR2 (0.33) | — | |
| SCHEMBL22585244 | 0.79 | CNR2 (0.32) | — | |
| SCHEMBL18411096 | 0.78 | CNR1 (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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-10828300-B2 | Substituted 2,4-diaminopyrimidines as kinase inhibitors | CELGENE CAR LLC (BM) | 2020-11-10 | — | — | US | disclosed |
| US-20190117650-A1 | HETEROARYL COMPOUNDS AND USES THEREOF | BRISTOL-MYERS SQUIBB COMPANY | 2019-04-25 | — | — | US | disclosed |
| US-20170137463-A1 | HCV PROTEASE INHIBITORS AND USES THEREOF | CELGENE CAR LLC (BM) | 2017-05-18 | — | — | US | disclosed |