⚠ 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 | |
|---|---|---|---|---|
| Calcium SCHEMBL31174334 | 1.00 | — | — | |
| Lithium SCHEMBL29989209 | 0.89 | — | — | |
| Calcium SCHEMBL31174329 | 0.80 | — | — | |
| Lithium SCHEMBL18109148 | 0.80 | — | — | |
| Lithium SCHEMBL31416509 | 0.80 | — | — | |
| Lithium SCHEMBL31055634 | 0.80 | — | — | |
| Lithium SCHEMBL31634799 | 0.80 | — | — | |
| Lithium SCHEMBL17966090 | 0.80 | — | — | |
| Lithium SCHEMBL16291242 | 0.80 | — | — | |
| Lithium SCHEMBL31612562 | 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-118854458-A | Far infrared nonlinear optical crystal in series thiophosphate, preparation method and application | 中国科学院新疆理化技术研究所 | 2024-10-29 | — | — | CN | claimed |