⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL466071 | 0.87 | GRIN2D (0.33) | — | |
| SCHEMBL660565 | 0.83 | NOS3 (0.31) | — | |
| SCHEMBL658386 | 0.83 | NOS3 (0.31) | — | |
| SCHEMBL1070770 | 0.83 | NOS3 (0.31) | — | |
| SCHEMBL658385 | 0.83 | NOS3 (0.31) | — | |
| SCHEMBL434393 | 0.83 | — | — | |
| SCHEMBL1073925 | 0.78 | SIGMAR1 (0.35) | — | |
| SCHEMBL657746 | 0.78 | — | — | |
| SCHEMBL466051 | 0.78 | — | — | |
| SCHEMBL658701 | 0.78 | — | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2006111287-A1 | SIZING COMPOSITION | BAYER MATERIALSCIENCE AG (DE) | 2006-10-26 | — | — | WO | disclosed |
| EP-1581576-A1 | HYDROPHILIZED BLOCKED POLYISOCYANATES | Bayer MaterialScience AG (DE) | 2005-10-05 | — | — | EP | disclosed |
| EP-1578837-A1 | HYDROPHILIC POLYURETHANE POLYUREA DISPERSIONS | Bayer MaterialScience AG (DE) | 2005-09-28 | — | — | EP | disclosed |
| EP-1516025-A1 | RADIATION-CURED COATING AGENT | Bayer MaterialScience AG (DE) | 2005-03-23 | — | — | EP | disclosed |
| WO-2004058847-A1 | HYDROPHILIZED BLOCKED POLYISOCYANATES | BAYER MATERIALSCIENCE AG (DE) | 2004-07-15 | — | — | WO | disclosed |
| WO-2004058846-A1 | HYDROPHILIC POLYURETHANE POLYUREA DISPERSIONS | BAYER MATERIALSCIENCE AG (DE) | 2004-07-15 | — | — | WO | disclosed |
| WO-2003106577-A1 | RADIATION-CURED COATING AGENT | BAYER AKTIENGESELLSCHAFT (DE) | 2003-12-24 | — | — | WO | disclosed |