⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9957398 | 0.92 | — | — | |
| SCHEMBL26663732 | 0.92 | — | — | |
| SCHEMBL6462417 | 0.92 | — | — | |
| SCHEMBL6462413 | 0.92 | — | — | |
| SCHEMBL16574870 | 0.88 | ALDH1A1 (0.30) | — | |
| SCHEMBL9175960 | 0.87 | ALDH1A1 (0.40) | — | |
| SCHEMBL5827953 | 0.87 | ALDH1A1 (0.40) | — | |
| SCHEMBL10021815 | 0.87 | ALDH1A1 (0.33) | — | |
| SCHEMBL1512623 | 0.86 | — | — | |
| SCHEMBL22657467 | 0.86 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-8420854-B2 | Di(meth)acrylate compound, polymerizable liquid crystal composition, optical anisotropic material, optical element and optical information writing/reading device | ASAHI GLASS COMPANY, LIMITED (JP) | 2013-04-16 | — | — | US | disclosed |
| US-20120123074-A1 | DI(METH)ACRYLATE COMPOUND, POLYMERIZABLE LIQUID CRYSTAL COMPOSITION, OPTICAL ANISOTROPIC MATERIAL, OPTICAL ELEMENT AND OPTICAL INFORMATION WRITING/READING DEVICE | ASAHI GLASS COMPANY, LIMITED (JP) | 2012-05-17 | — | — | US | disclosed |