⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2786657 | 0.69 | CYP1A2 (0.31) | — | |
| SCHEMBL132519 | 0.59 | MEN1 (0.38) | — | |
| SCHEMBL7156819 | 0.58 | — | — | |
| SCHEMBL11825808 | 0.58 | — | — | |
| SCHEMBL27926689 | 0.58 | — | — | |
| SCHEMBL322174 | 0.57 | — | — | |
| SCHEMBL9505417 | 0.57 | ALDH1A1 (0.30) | — | |
| SCHEMBL17075902 | 0.57 | GRM4 (0.32) | — | |
| SCHEMBL344217 | 0.57 | CYP1A2 (0.35) | — | |
| Hydrochloric Acid SCHEMBL9755283 | 0.57 | MEN1 (0.35) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-7795189-B2 | Zirconium-hydroxy alkylated amine-hydroxy carboxylic acid cross-linking composition for use with high pH polymer solutions | E.I. DU PONT DE NEMOURS AND COMPANY | 2010-09-14 | — | — | US | disclosed |
| US-20090166041-A1 | Zirconium-hydroxy alkylated amine-hydroxy carboxylic acid cross-linking composition for use with high pH polymer solutions | DORF KETAL SPECIALITY CATALYSTS, LLC | 2009-07-02 | — | — | US | disclosed |