⚠ 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 | 0.85 | CYP1A2 (0.31) | — | |
| SCHEMBL344217 | 0.80 | CYP1A2 (0.35) | — | |
| SCHEMBL4749723 | 0.78 | CYP1A2 (0.34) | — | |
| SCHEMBL48411 | 0.67 | CYP1A2 (0.43) | — | |
| SCHEMBL18173861 | 0.60 | CYP1A2 (0.32) | — | |
| SCHEMBL3465351 | 0.58 | — | — | |
| SCHEMBL8061719 | 0.56 | TDP1 (0.38) | — | |
| SCHEMBL10789733 | 0.56 | TDP1 (0.38) | — | |
| SCHEMBL132519 | 0.55 | MEN1 (0.38) | — | |
| SCHEMBL12269232 | 0.55 | TDP1 (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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8236739-B2 | Aqueous solution containing crosslinkable polymer; hydraulic fracturing, plugging permeable zones | Dork Ketal Speciality Catalysts, LLC (US) | 2012-08-07 | — | — | US | disclosed |
| WO-2008121357-A1 | ZIRCONIUM-BASED CROSS-LINKER COMPOSITIONS AND THEIR USE IN HIGH PH OIL FIELD APPLICATIONS | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 2008-10-09 | — | — | WO | disclosed |
| US-20080242563-A1 | Aqueous solution containing crosslinkable polymer; hydraulic fracturing, plugging permeable zones | DORF KETAL SPECIALITY CATALYSTS, LLC | 2008-10-02 | — | — | US | disclosed |