⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17185606 | 0.80 | — | — | |
| SCHEMBL19361934 | 0.76 | — | — | |
| SCHEMBL6802176 | 0.76 | — | — | |
| SCHEMBL9735133 | 0.76 | — | — | |
| SCHEMBL5228181 | 0.76 | — | — | |
| SCHEMBL317175 | 0.76 | — | — | |
| SCHEMBL11118595 | 0.76 | — | — | |
| SCHEMBL28385130 | 0.76 | — | — | |
| SCHEMBL11012854 | 0.74 | NPC1 (0.43) | — | |
| Bromide SCHEMBL29033779 | 0.74 | — | — |
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-106876712-A | A kind of method of polysulfide ion shuttle in suppression lithium-sulfur cell | 中国科学院大连化学物理研究所 | 2017-06-20 | — | — | CN | disclosed |