⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11226596 | 0.71 | — | — | |
| SCHEMBL23637864 | 0.69 | — | — | |
| SCHEMBL24492259 | 0.69 | — | — | |
| SCHEMBL37338 | 0.68 | ALDH1A1 (0.46) | — | |
| Fluoride SCHEMBL923683 | 0.65 | ALDH1A1 (0.42) | — | |
| SCHEMBL1267233 | 0.65 | ALDH1A1 (0.42) | — | |
| Hydrochloric Acid SCHEMBL81805 | 0.65 | ALDH1A1 (0.42) | — | |
| SCHEMBL1535125 | 0.65 | ALDH1A1 (0.42) | — | |
| SCHEMBL7083879 | 0.65 | ALDH1A1 (0.42) | — | |
| SCHEMBL5595182 | 0.65 | ALDH1A1 (0.42) | — |
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-20050155521-A1 | Alkoxylated polyalkyleneimines having anionic groups and their use | LANXESS DEUTSCHLAND GMBH (DE) | 2005-07-21 | — | — | US | disclosed |