⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6832814 | 0.80 | TSHR (0.39) | — | |
| SCHEMBL651536 | 0.79 | AKR1B10 (0.31) | — | |
| SCHEMBL8934454 | 0.71 | — | — | |
| SCHEMBL4862709 | 0.71 | — | — | |
| SCHEMBL6474918 | 0.66 | ALDH1A1 (0.32) | — | |
| SCHEMBL10693867 | 0.60 | — | — | |
| SCHEMBL1006121 | 0.59 | CYP1A2 (0.32) | — | |
| SCHEMBL16105202 | 0.59 | ESR2 (0.31) | — | |
| SCHEMBL11810987 | 0.56 | ALDH1A1 (0.32) | — | |
| SCHEMBL11615961 | 0.55 | L3MBTL1 (0.31) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1275668-B1 | PHOTOCURABLE COMPOSITION, CURED OBJECT, AND PROCESS FOR PRODUCING THE SAME | MITSUBISHI CHEM CORP (JP) | 2011-05-11 | — | — | EP | disclosed |
| US-6759104-B2 | LIQUID CRYSTALS DISPLAY; MIXTURE CONTAINING ACRYLATED ESTERS; PHOTOPOLYMERIZATION USING FREE RADICAL CATALYSTS | MITSUBISHI CHEMICAL CORPORATION (JP) | 2004-07-06 | — | — | US | disclosed |