⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27496733 | 0.79 | — | — | |
| SCHEMBL5169832 | 0.78 | — | — | |
| SCHEMBL309465 | 0.75 | — | — | |
| SCHEMBL5357862 | 0.75 | — | — | |
| SCHEMBL5350853 | 0.75 | — | — | |
| SCHEMBL9230623 | 0.73 | — | — | |
| SCHEMBL16074731 | 0.71 | MAPK1 (0.39) | — | |
| SCHEMBL28964362 | 0.71 | — | — | |
| Hexylene Glycol SCHEMBL123432 | 0.71 | — | — | |
| Hexylene Glycol SCHEMBL19379 | 0.71 | — | — |
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-1524289-B1 | POLYMERIZABLE COMPOSITION, OPTICAL MATERIAL COMPRISING THE COMPOSITION AND METHOD FOR PRODUCING THE MATERIAL | MITSUBISHI GAS CHEMICAL CO (JP) | 2009-09-16 | — | — | EP | disclosed |
| US-20070149639-A1 | Polymerizable composition, optical material comprising the composition and method for producing the material | HORIKOSHI HIROSHI | 2007-06-28 | — | — | US | disclosed |
| EP-1524289-A1 | POLYMERIZABLE COMPOSITION, OPTICAL MATERIAL COMPRISING THE COMPOSITION AND METHOD FOR PRODUCING THE MATERIAL | MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) | 2005-04-20 | — | — | EP | disclosed |
| US-20040254258-A1 | Polymerizable composition, optical material comprising the composition and method for producing the material | MITSUBISHI GAS CHEMICAL CO., LTD. (JP) | 2004-12-16 | — | — | US | disclosed |
| EP-0329386-A2 | S-alkyl thiocarbamate base resin, plastic lens comprising the resin, and process for making the lens | MITSUI TOATSU CHEMICALS, Inc. (JP) | 1989-08-23 | — | — | EP | disclosed |