⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12601447 | 0.80 | — | — | |
| SCHEMBL13794956 | 0.77 | — | — | |
| SCHEMBL12601457 | 0.77 | MCL1 (0.33) | — | |
| Benzene SCHEMBL8864325 | 0.74 | HPGD (0.37) | — | |
| SCHEMBL375968 | 0.70 | NQO1 (0.32) | — | |
| SCHEMBL7333962 | 0.68 | ALDH1A1 (0.44) | — | |
| Acetonitrile SCHEMBL10986643 | 0.66 | ALDH1A1 (0.37) | — | |
| SCHEMBL29569331 | 0.65 | — | — | |
| SCHEMBL18624791 | 0.65 | ALDH1A1 (0.30) | — | |
| SCHEMBL24745697 | 0.65 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1892274-B1 | Water repellent treatment using polysiloxanes containing carboxyl groups | LANXESS DEUTSCHLAND GMBH (DE) | 2011-06-29 | — | — | EP | disclosed |
| EP-1108765-B1 | Hydrophobisation with carboxyl group containing polysiloxanes | LANXESS DEUTSCHLAND GMBH (DE) | 2009-07-08 | — | — | EP | disclosed |
| EP-1892274-A2 | Water repellent treatment using polysiloxanes containing carboxyl groups | Lanxess Deutschland GmbH (DE) | 2008-02-27 | — | — | EP | disclosed |