⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17035457 | 0.77 | MAP3K14 (0.38) | — | |
| SCHEMBL17039138 | 0.75 | — | — | |
| SCHEMBL3632318 | 0.74 | — | — | |
| SCHEMBL29392 | 0.69 | — | — | |
| SCHEMBL931687 | 0.67 | CYP1A1 (0.35) | — | |
| SCHEMBL960055 | 0.66 | — | — | |
| SCHEMBL383108 | 0.64 | — | — | |
| SCHEMBL28527799 | 0.64 | KDM4E (0.35) | — | |
| Propyne SCHEMBL4555609 | 0.64 | HDAC8 (0.34) | — | |
| SCHEMBL9949090 | 0.64 | GRM5 (0.37) | — |
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-108473476-B | Alkynyl heterocyclic compounds for inhibiting protein kinase activity | 深圳市塔吉瑞生物医药有限公司 | 2021-02-19 | — | — | CN | disclosed |