⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL125932 | 0.72 | — | — | |
| SCHEMBL127741 | 0.69 | — | — | |
| SCHEMBL15659791 | 0.67 | — | — | |
| SCHEMBL131388 | 0.67 | — | — | |
| SCHEMBL128550 | 0.65 | TSHR (0.33) | — | |
| SCHEMBL11442514 | 0.65 | HTT (0.31) | — | |
| Fluroxene SCHEMBL60167 | 0.65 | — | — | |
| SCHEMBL3944793 | 0.65 | — | — | |
| SCHEMBL128361 | 0.65 | — | — | |
| SCHEMBL97014 | 0.65 | — | — |
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-106008504-A | Pyrrolopyrazine-spirocyclic piperidine amides as modulators of ion channels | 沃泰克斯药物股份有限公司 | 2016-10-12 | — | — | CN | disclosed |