⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16509909 | 0.88 | — | — | |
| SCHEMBL16509908 | 0.88 | — | — | |
| SCHEMBL19923 | 0.88 | — | — | |
| SCHEMBL3889122 | 0.78 | — | — | |
| SCHEMBL19915204 | 0.76 | — | — | |
| Carbon Dioxide SCHEMBL9245906 | 0.73 | KDM4E (0.32) | — | |
| SCHEMBL23465681 | 0.71 | ALDH1A1 (0.33) | — | |
| SCHEMBL23464977 | 0.71 | ALDH1A1 (0.33) | — | |
| SCHEMBL23464978 | 0.71 | ALDH1A1 (0.33) | — | |
| SCHEMBL726552 | 0.71 | ALDH1A1 (0.33) | — |
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-7919540-B2 | Lightweight, isocyanate-free materials; nonirritating and noninflammatory to eyes, skin and mucous membranes; reaction product of multifunctional acrylate monomers with multifunctional acetoacetates, cyanoacetates and/or acetoacetamides | ROHM AND HAAS COMPANY (US) | 2011-04-05 | — | — | US | disclosed |
| EP-1939241-B1 | Rigid, Low Density Foam | ROHM & HAAS (US) | 2010-01-13 | — | — | EP | disclosed |
| EP-1939241-A1 | Rigid, Low Density Foam | Rohm and Haas Company (US) | 2008-07-02 | — | — | EP | disclosed |
| US-20080132596-A1 | Rigid, low density foam | ROHM AND HAAS COMPANY | 2008-06-05 | — | — | US | disclosed |