⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7063445 | 0.91 | — | — | |
| SCHEMBL11073066 | 0.76 | — | — | |
| SCHEMBL10710546 | 0.74 | METAP2 (0.37) | — | |
| SCHEMBL28547324 | 0.74 | EPHX1 (0.32) | — | |
| SCHEMBL16546450 | 0.72 | — | — | |
| SCHEMBL24790707 | 0.72 | — | — | |
| SCHEMBL17763491 | 0.71 | — | — | |
| SCHEMBL3889899 | 0.69 | CYP1A2 (0.33) | — | |
| SCHEMBL4119769 | 0.67 | THRB (0.38) | — | |
| SCHEMBL23701173 | 0.66 | CYP1A2 (0.31) | — |
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-1379574-A2 | REACTIVE DILUENT IN MOISTURE CURABLE SYSTEM | Crompton Corporation (US) | 2004-01-14 | — | — | EP | disclosed |
| WO-2003000775-A2 | REACTIVE DILUENT IN MOISTURE CURABLE SYSTEM | CROMPTON CORPORATION (US) | 2003-01-03 | — | — | WO | disclosed |