⚠ 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 SCHEMBL11358887 | 0.97 | FFAR3 (0.41) | — | |
| Bicarbonate SCHEMBL11120238 | 0.97 | ALDH1A1 (0.40) | — | |
| Acetic Acid SCHEMBL1309209 | 0.97 | FFAR3 (0.41) | — | |
| SCHEMBL1438 | 0.97 | — | — | |
| SCHEMBL7529535 | 0.97 | ALDH1A1 (0.44) | — | |
| Acetic Acid SCHEMBL10717122 | 0.94 | FFAR3 (0.39) | — | |
| Acetic Acid SCHEMBL3999049 | 0.94 | FFAR3 (0.39) | — | |
| Bicarbonate SCHEMBL28141991 | 0.94 | ALDH1A1 (0.38) | — | |
| Acetic Acid SCHEMBL585035 | 0.94 | FFAR3 (0.39) | — | |
| Bicarbonate SCHEMBL27662446 | 0.94 | ALDH1A1 (0.38) | — |
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-101601864-A | Area decontamination by low-level concentration of germicidal agent | ETHICON INC (US) | 2009-12-16 | — | — | CN | disclosed |