⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18920659 | 0.79 | — | — | |
| SCHEMBL30420165 | 0.79 | — | — | |
| SCHEMBL1577450 | 0.79 | — | — | |
| SCHEMBL363346 | 0.75 | — | — | |
| SCHEMBL30448308 | 0.75 | — | — | |
| SCHEMBL148923 | 0.75 | — | — | |
| SCHEMBL27223999 | 0.75 | — | — | |
| SCHEMBL32671138 | 0.75 | — | — | |
| SCHEMBL15469464 | 0.75 | — | — | |
| SCHEMBL30173614 | 0.75 | — | — |
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-109836446-A | A kind of pyridine alkynes precursor and its synthetic method | 重庆大学 | 2019-06-04 | — | — | CN | claimed |
| CN-109836446-A | A kind of pyridine alkynes precursor and its synthetic method | 重庆大学 | 2019-06-04 | — | — | CN | disclosed |