⚠ 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 | |
|---|---|---|---|---|
| Benzene SCHEMBL8864325 | 0.93 | HPGD (0.37) | — | |
| SCHEMBL12601075 | 0.80 | — | — | |
| SCHEMBL18624791 | 0.77 | ALDH1A1 (0.30) | — | |
| SCHEMBL12601457 | 0.75 | MCL1 (0.33) | — | |
| SCHEMBL13794956 | 0.75 | — | — | |
| SCHEMBL966914 | 0.74 | — | — | |
| SCHEMBL29569331 | 0.72 | — | — | |
| SCHEMBL2705551 | 0.72 | — | — | |
| SCHEMBL6987286 | 0.68 | ALDH1A1 (0.44) | — | |
| SCHEMBL11214566 | 0.68 | MCL1 (0.30) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2021032209-A1 | ANTI-INFLUENZA VIRUS COMPOUND, PREPARATION METHOD AND USE THEREOF | 四川海思科制药有限公司 | 2021-02-25 | — | — | WO | disclosed |
| 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 |