⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL350124 | 0.97 | — | — | |
| Hydrochloric Acid SCHEMBL27430195 | 0.94 | — | — | |
| Methylamine SCHEMBL27298475 | 0.94 | ALDH1A1 (0.38) | — | |
| Hydrochloric Acid SCHEMBL28235208 | 0.94 | ALDH1A1 (0.38) | — | |
| Guanidine SCHEMBL28317240 | 0.94 | ALDH1A1 (0.38) | — | |
| Hydrochloric Acid SCHEMBL2949942 | 0.94 | — | — | |
| Bromide SCHEMBL5248506 | 0.94 | — | — | |
| Bicarbonate SCHEMBL15573951 | 0.86 | MMP1 (0.37) | — | |
| Sulfuric Acid SCHEMBL11815400 | 0.84 | ALOX15 (0.47) | — | |
| Sulfuric Acid SCHEMBL6049589 | 0.84 | ALOX15 (0.47) | — |
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-109825914-A | A kind of antistatic, negative ion health fabric | 南通薇星纺织科技有限公司 | 2019-05-31 | — | — | CN | disclosed |