⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12009818 | 0.78 | — | — | |
| SCHEMBL12009821 | 0.78 | — | — | |
| SCHEMBL12009820 | 0.78 | — | — | |
| SCHEMBL12039777 | 0.77 | — | — | |
| SCHEMBL11923510 | 0.76 | — | — | |
| SCHEMBL11115496 | 0.75 | — | — | |
| SCHEMBL15568681 | 0.74 | — | — | |
| SCHEMBL10596394 | 0.74 | — | — | |
| SCHEMBL16226877 | 0.72 | SCN2A (0.31) | — | |
| SCHEMBL6672254 | 0.72 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20170190734-A1 | MACROCYCLIC INHIBITORS OF FLAVIVIRIDAE VIRUSES | Selcia Ltd. (GB) | 2017-07-06 | — | — | US | disclosed |