⚠ 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 | |
|---|---|---|---|---|
| Malonaldehyde SCHEMBL16287 | 0.94 | — | — | |
| Malonaldehyde SCHEMBL10949336 | 0.94 | ALDH1A1 (0.42) | — | |
| Malonaldehyde SCHEMBL9754363 | 0.89 | — | — | |
| Malonaldehyde SCHEMBL1492514 | 0.89 | — | — | |
| Malonaldehyde SCHEMBL7799611 | 0.89 | — | — | |
| Malonaldehyde SCHEMBL8182493 | 0.89 | — | — | |
| Malonaldehyde SCHEMBL3130097 | 0.89 | — | — | |
| Malonaldehyde SCHEMBL7515120 | 0.89 | — | — | |
| Malonaldehyde SCHEMBL825464 | 0.89 | — | — | |
| Malonaldehyde SCHEMBL2429722 | 0.89 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20100143712-A1 | SILANE-CROSSLINKING ADHESIVE OR SEALANT COMPRISING N-SILYLALKYLAMIDES AND USE THEREOF | HENKEL AG & CO. KGAA (DE) | 2010-06-10 | — | — | US | disclosed |