⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14060187 | 0.82 | — | — | |
| SCHEMBL753883 | 0.77 | — | — | |
| Methylamine SCHEMBL7601491 | 0.71 | — | — | |
| SCHEMBL9861317 | 0.71 | CYP2D6 (0.30) | — | |
| SCHEMBL295301 | 0.70 | — | — | |
| SCHEMBL4654321 | 0.69 | — | — | |
| Ammonia Solution, Strong SCHEMBL2354850 | 0.69 | — | — | |
| SCHEMBL158202 | 0.68 | — | — | |
| SCHEMBL135373 | 0.68 | ALDH1A1 (0.35) | — | |
| SCHEMBL28589945 | 0.67 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2548903-B1 | POLYURETHANE RESIN | SUNSTAR ENGINEERING INC (JP) | 2017-12-20 | — | — | EP | disclosed |
| US-8729194-B2 | Polyurethane resin | SUNSTAR GIKEN KABUSHIKI KAISHA (JP) | 2014-05-20 | — | — | US | disclosed |
| US-20140087156-A1 | SURFACE COATING SYSTEM AND METHOD OF MAKING AND USING SAME | DIVERSEY, INC. (US) | 2014-03-27 | — | — | US | disclosed |
| US-20130035453-A1 | POLYURETHANE RESIN | SUNSTAR GIKEN KABUSHIKI KAISHA (JP) | 2013-02-07 | — | — | US | disclosed |
| EP-2548903-A1 | POLYURETHANE RESIN | Sunstar Giken Kabushiki Kaisha (JP) | 2013-01-23 | — | — | EP | disclosed |
| WO-2012162641-A2 | SURFACE COATING SYSTEM AND METHOD OF MAKING AND USING SAME | DIVERSEY, INC. (US) | 2012-11-29 | — | — | WO | disclosed |
| EP-0995781-B1 | COATING MATERIAL | IDEMITSU PETROCHEMICAL CO (JP) | 2004-08-18 | — | — | EP | disclosed |