⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9949840 | 0.86 | MAPT (0.35) | — | |
| SCHEMBL5464607 | 0.82 | MAPT (0.32) | — | |
| SCHEMBL3678877 | 0.81 | — | — | |
| SCHEMBL20225636 | 0.81 | — | — | |
| SCHEMBL9949963 | 0.78 | LMNA (0.31) | — | |
| SCHEMBL11153349 | 0.76 | MAPT (0.38) | — | |
| SCHEMBL9949325 | 0.75 | ALDH1A1 (0.39) | — | |
| Dimethylamine SCHEMBL2934218 | 0.75 | ABCC3 (0.30) | — | |
| SCHEMBL474333 | 0.74 | LMNA (0.38) | — | |
| SCHEMBL7178774 | 0.73 | MAPT (0.32) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7514478-B2 | Solid, radiation-curing binders with reactive thinners | BAYER MATERIALSCIENCE AG (DE) | 2009-04-07 | — | — | US | disclosed |
| CN-100457842-C | Solid radiation-curable binders with reactive diluents | BAYER MATERIALSCIENCE AG (DE) | 2009-02-04 | — | — | CN | disclosed |
| US-20050170185-A1 | Solid, radiation-curing binders with reactive thinners | ALLNEX NETHERLANDS B.V. (NL) | 2005-08-04 | — | — | US | disclosed |
| CN-1637092-A | Solid radiation-curable binders with reactive diluents | BAYER MATERIALSCIENCE AG (DE) | 2005-07-13 | — | — | CN | disclosed |