⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL269003 | 0.96 | — | — | |
| SCHEMBL27589487 | 0.92 | — | — | |
| Ammonia Solution, Strong SCHEMBL5393029 | 0.92 | — | — | |
| Methane SCHEMBL6038342 | 0.92 | — | — | |
| Ethylene SCHEMBL9626510 | 0.88 | — | — | |
| Cyclopropane SCHEMBL5886605 | 0.85 | — | — | |
| Trimethylammonium SCHEMBL27280798 | 0.82 | — | — | |
| Cyclopropane SCHEMBL21197462 | 0.82 | — | — | |
| Acetic Acid SCHEMBL4342899 | 0.77 | FFAR3 (0.41) | — | |
| Phosphonic Acid SCHEMBL8897472 | 0.73 | — | — |
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-112500432-B | Polymorphic substance of Dufulin, preparation method and application thereof | 华东理工大学 | 2024-11-26 | — | — | CN | disclosed |