⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2044157 | 0.77 | — | — | |
| SCHEMBL3858576 | 0.71 | ALDH1A1 (0.32) | — | |
| SCHEMBL17022078 | 0.71 | — | — | |
| SCHEMBL235178 | 0.69 | — | — | |
| SCHEMBL29622 | 0.69 | — | — | |
| SCHEMBL7155990 | 0.69 | — | — | |
| SCHEMBL28250963 | 0.65 | — | — | |
| SCHEMBL8708031 | 0.65 | — | — | |
| SCHEMBL6215728 | 0.65 | — | — | |
| SCHEMBL8063782 | 0.63 | — | — |
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-6841197-B2 | For use in hydrophobicization of absorbent mineral materials, surface treatment to have surafaces repelling water, oil or dirt or preventing bioinfestation and/or corrosion of inorganic surfaces | DEGUSSA AG (DE) | 2005-01-11 | — | — | US | disclosed |
| US-20020090316-A1 | For use in hydrophobicization of absorbent mineral materials, surface treatment to have surafaces repelling water, oil or dirt or preventing bioinfestation and/or corrosion of inorganic surfaces | DEGUSSA AG (DE) | 2002-07-11 | — | — | US | disclosed |