⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15683856 | 0.88 | — | — | |
| SCHEMBL4647803 | 0.71 | — | — | |
| SCHEMBL12036488 | 0.67 | — | — | |
| SCHEMBL3838064 | 0.60 | — | — | |
| SCHEMBL7232312 | 0.60 | MAPK1 (0.56) | — | |
| SCHEMBL7224887 | 0.60 | — | — | |
| SCHEMBL18643579 | 0.60 | — | — | |
| SCHEMBL15907943 | 0.60 | MAPK1 (0.56) | — | |
| SCHEMBL24709443 | 0.58 | — | — | |
| SCHEMBL22068907 | 0.58 | MAPK1 (0.32) | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20040158031-A1 | Alicyclic compound for optical material | MITSUBISHI GAS CHEMICAL CO., INC. (JP) | 2004-08-12 | — | — | US | claimed |
| EP-1398317-A1 | ALICYCLIC COMPOUND FOR OPTICAL MATERIAL | MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) | 2004-03-17 | — | — | EP | claimed |
| US-8349995-B2 | Polythiocarbonatepoly(thio)epoxide | UBE INDUSTRIES, LTD. (JP) | 2013-01-08 | — | — | US | disclosed |
| US-20090299030-A1 | POLYTHIOCARBONATEPOLY(THIO)EPOXIDE | UBE INDUSTRIES, LTD. (JP) | 2009-12-03 | — | — | US | disclosed |
| EP-1944329-A1 | POLYTHIOCARBONATE POLY(THIO)EPOXIDE | Ube Industries, Ltd. (JP) | 2008-07-16 | — | — | EP | disclosed |
| US-7301705-B2 | Alicyclic compound for optical material | MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) | 2007-11-27 | — | — | US | disclosed |
| US-20040158031-A1 | Alicyclic compound for optical material | MITSUBISHI GAS CHEMICAL CO., INC. (JP) | 2004-08-12 | — | — | US | disclosed |
| EP-1398317-A1 | ALICYCLIC COMPOUND FOR OPTICAL MATERIAL | MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) | 2004-03-17 | — | — | EP | disclosed |