⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18661313 | 1.00 | — | — | |
| SCHEMBL18723482 | 0.83 | KDM4E (0.31) | — | |
| SCHEMBL24182579 | 0.81 | GAA (0.35) | — | |
| SCHEMBL20219741 | 0.81 | GAA (0.35) | — | |
| SCHEMBL13621435 | 0.67 | THRB (0.33) | — | |
| SCHEMBL23683147 | 0.67 | THRB (0.35) | — | |
| SCHEMBL14131169 | 0.61 | — | — | |
| SCHEMBL21524358 | 0.61 | MAPK1 (0.32) | — | |
| SCHEMBL8340733 | 0.61 | — | — | |
| SCHEMBL18029449 | 0.61 | ALDH1A1 (0.35) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8110679-B2 | Nanofilm and membrane compositions | COVALENT PARTNERS LLC (US) | 2012-02-07 | — | — | US | disclosed |
| US-20090114596-A1 | NANOFILM AND MEMBRANE COMPOSITIONS | COVALENT PARTNERS LLC | 2009-05-07 | — | — | US | disclosed |
| US-3939207-A | Method for preparing aldehydes | ESCHENMOSER ALBERT | 1976-02-17 | — | — | US | disclosed |