⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3681533 | 0.84 | — | — | |
| SCHEMBL3681536 | 0.84 | — | — | |
| SCHEMBL13672987 | 0.81 | — | — | |
| SCHEMBL16067258 | 0.81 | — | — | |
| SCHEMBL7902081 | 0.81 | — | — | |
| SCHEMBL18286970 | 0.78 | — | — | |
| SCHEMBL17733803 | 0.76 | — | — | |
| SCHEMBL13716768 | 0.76 | — | — | |
| SCHEMBL12462982 | 0.76 | — | — | |
| SCHEMBL20389225 | 0.76 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20170313652-A1 | Poly-Cyanostilbene Macrocycles | NATIONAL SCIENCE FOUNDATION | 2017-11-02 | — | — | US | disclosed |
| EP-1426392-B1 | COMPOSITION FOR OPTICAL MATERIAL | MITSUBISHI GAS CHEMICAL CO (JP) | 2010-02-24 | — | — | EP | disclosed |
| US-6960640-B2 | Composition for optical material | MITSUBISHI GAS CHEMICAL CO., LTD. (JP) | 2005-11-01 | — | — | US | disclosed |
| US-20040147708-A1 | Composition for optical material | MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) | 2004-07-29 | — | — | US | disclosed |
| EP-1426392-A1 | COMPOSITION FOR OPTICAL MATERIAL | MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) | 2004-06-09 | — | — | EP | disclosed |