⚠ 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 | |
|---|---|---|---|---|
| Acetone SCHEMBL4362729 | 0.86 | — | — | |
| Acetic Acid SCHEMBL360904 | 0.82 | — | — | |
| Acetic Acid SCHEMBL177128 | 0.82 | FFAR3 (0.64) | — | |
| Butanedione SCHEMBL1867426 | 0.80 | TSHR (1.00) | — | |
| Butanedione SCHEMBL20472 | 0.80 | — | — | |
| Acetic Acid SCHEMBL27522628 | 0.78 | — | — | |
| Acetic Acid SCHEMBL28591801 | 0.78 | — | — | |
| Acetic Acid SCHEMBL28108158 | 0.78 | — | — | |
| Acetic Acid SCHEMBL128796 | 0.78 | FFAR3 (0.58) | — | |
| Acetic Acid SCHEMBL28108156 | 0.78 | — | — |
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-106092977-A | A kind of sensor detecting formaldehyde and preparation method thereof | 徐伟鹏 | 2016-11-09 | — | — | CN | disclosed |