⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28374521 | 0.82 | — | — | |
| SCHEMBL28478768 | 0.80 | — | — | |
| SCHEMBL27705308 | 0.78 | — | — | |
| SCHEMBL1130422 | 0.76 | — | — | |
| SCHEMBL2948109 | 0.76 | — | — | |
| SCHEMBL23631449 | 0.76 | — | — | |
| SCHEMBL7799508 | 0.76 | — | — | |
| SCHEMBL10980844 | 0.76 | — | — | |
| SCHEMBL6669065 | 0.74 | — | — | |
| SCHEMBL30468567 | 0.74 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-111777562-B | 6-phenoxy substituted pyrimidine targeted DDR1 inhibitor, preparation method thereof and application of inhibitor in antitumor activity | 温州医科大学 | 2022-04-19 | — | — | CN | disclosed |
| CN-111777562-A | 6-phenoxy substituted pyrimidine targeted DDR1 inhibitor, preparation method thereof and application of inhibitor in antitumor activity | 温州医科大学 | 2020-10-16 | — | — | CN | disclosed |