⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2779955 | 0.88 | — | — | |
| SCHEMBL1237944 | 0.80 | TSHR (0.35) | — | |
| SCHEMBL8769650 | 0.76 | TSHR (0.50) | — | |
| SCHEMBL7998794 | 0.74 | — | — | |
| SCHEMBL8769501 | 0.74 | TSHR (0.32) | — | |
| SCHEMBL8529978 | 0.71 | THRB (0.35) | — | |
| Ethylene Glycol SCHEMBL27794858 | 0.70 | TSHR (0.35) | — | |
| SCHEMBL10982409 | 0.70 | — | — | |
| SCHEMBL10952582 | 0.70 | — | — | |
| SCHEMBL6656631 | 0.70 | SMPD1 (0.37) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0669386-B1 | CYANOACRYLATE ADHESIVE COMPOSITION | TOA GOSEI CHEM IND (JP) | 1998-03-11 | — | — | EP | disclosed |
| US-5536799-A | DIPENTAERYTHRITOL POLYACRYLATE | TOAGOSEI CO., LTD. (JP) | 1996-07-16 | — | — | US | disclosed |
| EP-0669386-A1 | CYANOACRYLATE ADHESIVE COMPOSITION | TOAGOSEI CHEMICAL INDUSTRIAL CO., LTD. (JP) | 1995-08-30 | — | — | EP | disclosed |
| US-4536209-A | N-(3-substituted oxyphenyl)tetrahydrophthalimides and herbicidal composition | MITSUBISHI CHEMICAL INDUSTRIES LTD. (JP) | 1985-08-20 | — | — | US | disclosed |
| EP-0049508-A1 | N-(3-Substituted oxyphenyl) tetrahydrophthalimides and herbicidal composition | MITSUBISHI KASEI CORPORATION (JP) | 1982-04-14 | — | — | EP | disclosed |