⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3668842 | 0.86 | — | — | |
| SCHEMBL3668904 | 0.82 | TDP1 (0.33) | — | |
| SCHEMBL3442757 | 0.80 | — | — | |
| SCHEMBL23524386 | 0.80 | CA1 (0.33) | — | |
| SCHEMBL3674383 | 0.76 | CYP1A2 (0.31) | — | |
| Chloroform SCHEMBL10565649 | 0.74 | — | — | |
| Acetic Acid SCHEMBL6859378 | 0.73 | ARG1 (0.31) | — | |
| SCHEMBL3678676 | 0.71 | — | — | |
| Ethyl Acetate SCHEMBL8646727 | 0.70 | ALDH1A1 (0.38) | — | |
| SCHEMBL20843265 | 0.70 | SIGMAR1 (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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1426392-B1 | COMPOSITION FOR OPTICAL MATERIAL | MITSUBISHI GAS CHEMICAL CO (JP) | 2010-02-24 | — | — | EP | disclosed |
| EP-1426392-A1 | COMPOSITION FOR OPTICAL MATERIAL | MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) | 2004-06-09 | — | — | EP | disclosed |