⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28505758 | 0.81 | — | — | |
| SCHEMBL270682 | 0.77 | — | — | |
| SCHEMBL19075449 | 0.77 | — | — | |
| SCHEMBL269058 | 0.74 | — | — | |
| Phosphine SCHEMBL27708140 | 0.74 | — | — | |
| SCHEMBL29307219 | 0.74 | — | — | |
| SCHEMBL11430726 | 0.71 | — | — | |
| SCHEMBL9330655 | 0.71 | — | — | |
| SCHEMBL283790 | 0.69 | — | — | |
| SCHEMBL301809 | 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-104781251-B | Can as kinase modulator through the substituted pyridinyl compounds of bicyclic heterocycle | 百时美施贵宝公司 | 2016-12-14 | — | — | CN | disclosed |