⚠ 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 | |
|---|---|---|---|---|
| Acetic Acid SCHEMBL3961679 | 0.90 | — | — | |
| Acetone SCHEMBL27692287 | 0.89 | — | — | |
| Chloromethane SCHEMBL28098486 | 0.84 | — | — | |
| Acetic Acid SCHEMBL29039833 | 0.84 | FFAR3 (0.78) | — | |
| Acetone SCHEMBL28129805 | 0.84 | LMNA (0.67) | — | |
| Acetic Acid SCHEMBL312459 | 0.84 | — | — | |
| Ethane SCHEMBL28639609 | 0.84 | FFAR3 (0.46) | — | |
| Ethane SCHEMBL15352770 | 0.84 | — | — | |
| Acetone SCHEMBL22494069 | 0.84 | — | — | |
| Methyl Alcohol SCHEMBL28085279 | 0.84 | — | — |
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-104284918-B | urethane type and urea ester type compound and preparation method thereof | 高剑萍 | 2017-03-29 | — | — | CN | disclosed |