⚠ 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 | |
|---|---|---|---|---|
| Fluoride SCHEMBL27903988 | 1.00 | — | — | |
| Fluoride SCHEMBL18783183 | 1.00 | — | — | |
| Fluoride SCHEMBL3098168 | 1.00 | — | — | |
| Fluoride SCHEMBL402592 | 1.00 | — | — | |
| Fluoride SCHEMBL28518991 | 0.82 | — | — | |
| Fluoride SCHEMBL5410065 | 0.82 | — | — | |
| Fluoride SCHEMBL28360811 | 0.82 | — | — | |
| Fluoride SCHEMBL21715125 | 0.82 | — | — | |
| Fluoride SCHEMBL28812215 | 0.82 | — | — | |
| Fluoride SCHEMBL8988745 | 0.82 | — | — |
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-107884809-A | Neutron detection negative electrode, neutron detector and neutron detection method | 中国科学院高能物理研究所 | 2018-04-06 | — | — | CN | disclosed |