⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29014640 | 0.94 | — | — | |
| SCHEMBL30460436 | 0.88 | — | — | |
| SCHEMBL30459806 | 0.88 | — | — | |
| SCHEMBL176996 | 0.87 | — | — | |
| Fluoride SCHEMBL25223958 | 0.80 | — | — | |
| Fluoride SCHEMBL1963049 | 0.80 | — | — | |
| Ammonia Solution, Strong SCHEMBL28817728 | 0.80 | — | — | |
| Fluoride SCHEMBL28519168 | 0.80 | — | — | |
| SCHEMBL10741282 | 0.80 | — | — | |
| Hydrochloric Acid SCHEMBL27207858 | 0.80 | — | — |
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-116262608-A | Preparation method and application of polyanion material with coexisting crystalline phase and amorphous phase | 中国科学院大连化学物理研究所 | 2023-06-16 | — | — | CN | disclosed |