⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1463502 | 0.74 | — | — | |
| SCHEMBL22830358 | 0.72 | TSHR (0.38) | — | |
| SCHEMBL1034236 | 0.70 | — | — | |
| SCHEMBL11123701 | 0.70 | TSHR (0.41) | — | |
| SCHEMBL1976400 | 0.70 | ALDH1A1 (0.43) | — | |
| SCHEMBL7572266 | 0.70 | — | — | |
| SCHEMBL868205 | 0.70 | HCAR2 (0.43) | — | |
| SCHEMBL10688847 | 0.70 | HCAR2 (0.43) | — | |
| SCHEMBL6957678 | 0.70 | — | — | |
| SCHEMBL11549997 | 0.69 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1057843-B1 | Aqueous emulsion, process for producing the same and aqueous paint and aqueous printing ink comprising the same | NIPPON POLYURETHANE KOGYO KK (JP) | 2004-09-15 | — | — | EP | disclosed |
| US-6306947-B1 | Printing ink and paint composed of an aqueous emulsion of self-emulsifiable urethane copolymer | NIPPON POLYURETHANE INDUSTRY CO., LTD. (JP) | 2001-10-23 | — | — | US | disclosed |
| EP-1057843-A1 | Aqueous emulsion, process for producing the same and aqueous paint and aqueous printing ink comprising the same | NIPPON POLYURETHANE INDUSTRY CO. LTD. (JP) | 2000-12-06 | — | — | EP | disclosed |