⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3869283 | 1.00 | — | — | |
| Water SCHEMBL28306089 | 0.82 | — | — | |
| SCHEMBL28524696 | 0.82 | — | — | |
| SCHEMBL28002088 | 0.82 | — | — | |
| SCHEMBL5678762 | 0.82 | — | — | |
| SCHEMBL28278833 | 0.82 | — | — | |
| SCHEMBL30154384 | 0.82 | — | — | |
| SCHEMBL29015232 | 0.82 | — | — | |
| SCHEMBL28989035 | 0.82 | — | — | |
| SCHEMBL28011487 | 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-105160990-A | Mineral element relation distribution map, drafting method and application thereof | GUANGXI RES INST OF METALLURG | 2015-12-16 | — | — | CN | disclosed |