⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29614 | 0.98 | TP53 (0.31) | — | |
| SCHEMBL2180359 | 0.96 | — | — | |
| SCHEMBL1365024 | 0.83 | SMN1; SMN2 (0.44) | — | |
| SCHEMBL2467750 | 0.82 | SMN1; SMN2 (0.43) | — | |
| SCHEMBL29186681 | 0.81 | MMP1 (0.39) | — | |
| SCHEMBL22833469 | 0.81 | SMN1; SMN2 (0.46) | — | |
| SCHEMBL8855146 | 0.80 | MAPT (0.34) | — | |
| SCHEMBL29011998 | 0.80 | MMP1 (0.42) | — | |
| SCHEMBL371443 | 0.79 | TP53 (0.44) | — | |
| SCHEMBL11830727 | 0.78 | OR51E2 (0.39) | — |
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-2074062-A1 | SURFACE-MODIFIED SILICAS | Evonik Degussa GmbH (DE) | 2009-07-01 | — | — | EP | disclosed |
| WO-2008043633-A1 | SURFACE-MODIFIED SILICAS | EVONIK DEGUSSA GMBH (DE) | 2008-04-17 | — | — | WO | disclosed |