⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL142183 | 0.97 | — | — | |
| Hydrochloric Acid SCHEMBL4253131 | 0.95 | — | — | |
| Formaldehyde SCHEMBL27533174 | 0.93 | MAPT (0.47) | — | |
| Methylamine SCHEMBL27945126 | 0.91 | TRPA1 (0.47) | — | |
| Acetone SCHEMBL28506095 | 0.91 | TRPA1 (0.47) | — | |
| Trimethylammonium SCHEMBL27360406 | 0.89 | TRPA1 (0.46) | — | |
| Ethylene Glycol SCHEMBL28192812 | 0.89 | TRPA1 (0.46) | — | |
| Biphenyl SCHEMBL27717152 | 0.87 | MAPT (0.51) | — | |
| SCHEMBL6612952 | 0.82 | EGFR (0.53) | — | |
| Ethanesulfonic Acid Amide SCHEMBL7621819 | 0.80 | TRPA1 (0.44) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1095379-A | Condensed heterocyclic derivates and weedicide | KUMIAI CHEMICAL INDUSTRY CO (JP) | 1994-11-23 | — | — | CN | disclosed |
| CN-86102923-A | The method for preparing antibiotic derivatives | — | 1986-11-12 | — | — | CN | disclosed |