⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL303929 | 0.95 | — | — | |
| SCHEMBL17937649 | 0.91 | DNM1 (0.32) | — | |
| SCHEMBL272667 | 0.91 | CYP3A4 (0.39) | — | |
| SCHEMBL2928491 | 0.89 | CYP3A4 (0.32) | — | |
| Ammonia Solution, Strong SCHEMBL3272712 | 0.87 | CYP3A4 (0.32) | — | |
| SCHEMBL15360398 | 0.85 | DNM1 (0.41) | — | |
| SCHEMBL2925160 | 0.82 | CPB2 (0.33) | — | |
| SCHEMBL15360339 | 0.82 | ALDH1A1 (0.35) | — | |
| SCHEMBL2925700 | 0.81 | DNM1 (0.36) | — | |
| SCHEMBL357385 | 0.78 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6878770-B2 | Aqueous organosilicon compositions | WACKER-CHEMIE GMBH (DE) | 2005-04-12 | — | — | US | disclosed |
| EP-1305357-B1 | AQUEOUS COMPOSITIONS | WACKER CHEMIE GMBH (DE) | 2004-10-13 | — | — | EP | disclosed |
| US-20040029981-A1 | Aqueous compositions | WACKER-CHEMIE GMBH (DE) | 2004-02-12 | — | — | US | disclosed |
| EP-1305357-A1 | AQUEOUS COMPOSITIONS | Wacker-Chemie GmbH (DE) | 2003-05-02 | — | — | EP | disclosed |
| WO-2002010254-A1 | AQUEOUS COMPOSITIONS | WACKER-CHEMIE GMBH (DE) | 2002-02-07 | — | — | WO | disclosed |