⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5407441 | 0.56 | — | — | |
| SCHEMBL26005 | 0.54 | — | — | |
| Formaldehyde SCHEMBL1899503 | 0.50 | — | — | |
| Formic Acid SCHEMBL135126 | 0.50 | — | — | |
| Ethylene SCHEMBL3618739 | 0.50 | — | — | |
| Formaldehyde SCHEMBL9617332 | 0.50 | ALDH1A1 (0.36) | — | |
| Hydrochloric Acid SCHEMBL29089930 | 0.50 | — | — | |
| Formaldehyde SCHEMBL1422200 | 0.47 | — | — | |
| Acetaldehyde SCHEMBL28453383 | 0.47 | — | — | |
| SCHEMBL10949378 | 0.47 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2367868-A1 | CROSS-LINKABLE MASSES BASED ON ORGANOSILICON COMPOUNDS | Wacker Chemie AG (DE) | 2011-09-28 | — | — | EP | disclosed |
| WO-2010072615-A1 | CROSS-LINKABLE MASSES BASED ON ORGANOSILICON COMPOUNDS | WACKER CHEMIE AG (DE) | 2010-07-01 | — | — | WO | disclosed |