⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12636034 | 0.88 | ALDH1A1 (0.30) | — | |
| SCHEMBL93927 | 0.77 | ALDH1A1 (0.44) | — | |
| SCHEMBL12636031 | 0.77 | — | — | |
| SCHEMBL26764615 | 0.74 | ALDH1A1 (0.46) | — | |
| SCHEMBL12636029 | 0.74 | CA1 (0.34) | — | |
| SCHEMBL516304 | 0.73 | CA1 (0.36) | — | |
| SCHEMBL13662144 | 0.71 | ALDH1A1 (0.38) | — | |
| SCHEMBL9342133 | 0.71 | ALDH1A1 (0.60) | — | |
| SCHEMBL1332425 | 0.70 | — | — | |
| SCHEMBL1097979 | 0.69 | ALDH1A1 (0.41) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-7623751-B2 | Compound, polymerizable composition, optical device, and method for producing refractive index profile optical device | FUJIFILM CORPORATION (JP) | 2009-11-24 | — | — | US | disclosed |
| US-20080226244-A1 | Compound, Polymerizable Composition, Optical Device, and Method for Producing Refractive Index Profile Optical Device | FUJIFILM CORPORATION (JP) | 2008-09-18 | — | — | US | disclosed |
| WO-2006049321-A1 | COMPOUND, POLYMERIZABLE COMPOSITION, OPTICAL DEVICE, AND METHOD FOR PRODUCING REFRACTIVE INDEX PROFILE OPTICAL DEVICE | FUJIFILM CORPORATION (JP) | 2006-05-11 | — | — | WO | disclosed |