⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL539202 | 0.80 | — | — | |
| SCHEMBL14198852 | 0.78 | — | — | |
| Ammonia Solution, Strong SCHEMBL598220 | 0.78 | ALDH1A1 (0.30) | — | |
| SCHEMBL606748 | 0.78 | ALDH1A1 (0.30) | — | |
| SCHEMBL9294670 | 0.75 | — | — | |
| SCHEMBL8093638 | 0.75 | — | — | |
| SCHEMBL169585 | 0.75 | — | — | |
| SCHEMBL5293615 | 0.75 | — | — | |
| SCHEMBL185190 | 0.73 | — | — | |
| SCHEMBL3630320 | 0.73 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-5827443-A | HYDROPHOBIC FIBER COATING MIXTURE CONTAINING POLYALKYLPOLYAMINE AMIDE AND TRIALKYLGLYCINE ZWITTERION SURFACTANTS; WETTING AGENTS, ANTISTATIC AGENTS | MATSUMOTO YUSHI-SEIYAKU CO., LTD. (JP) | 1998-10-27 | — | — | US | disclosed |