⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8714454 | 0.85 | — | — | |
| SCHEMBL10760771 | 0.77 | — | — | |
| SCHEMBL4779310 | 0.76 | ALPL (0.33) | — | |
| SCHEMBL12612090 | 0.76 | GRIN2D (0.32) | — | |
| SCHEMBL4624755 | 0.73 | GRIN2D (0.34) | — | |
| SCHEMBL27931030 | 0.73 | HSD17B10 (0.39) | — | |
| SCHEMBL27956602 | 0.71 | GRIN2D (0.36) | — | |
| SCHEMBL7314602 | 0.70 | ALPL (0.36) | — | |
| SCHEMBL27795217 | 0.70 | GAA (0.35) | — | |
| SCHEMBL14536464 | 0.69 | GRIN2D (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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2144946-A1 | RADIATION-CROSSLINKING AND THERMALLY CROSSLINKING PU SYSTEMS-BASED ON POLY( -CAPROLACTONE)POLYESTER POLYOLS | Bayer MaterialScience AG (DE) | 2010-01-20 | — | — | EP | disclosed |
| WO-2008125202-A1 | RADIATION-CROSSLINKING AND THERMALLY CROSSLINKING PU SYSTEMS-BASED ON POLY(ε-CAPROLACTONE)POLYESTER POLYOLS | BAYER MATERIALSCIENCE AG (DE) | 2008-10-23 | — | — | WO | disclosed |