⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13551955 | 0.77 | — | — | |
| SCHEMBL6784221 | 0.70 | — | — | |
| SCHEMBL4647073 | 0.67 | — | — | |
| SCHEMBL17961627 | 0.65 | — | — | |
| SCHEMBL9595445 | 0.65 | — | — | |
| SCHEMBL19021641 | 0.62 | — | — | |
| SCHEMBL17961605 | 0.62 | — | — | |
| SCHEMBL13770910 | 0.62 | — | — | |
| SCHEMBL22520541 | 0.61 | CYP1A2 (0.39) | — | |
| SCHEMBL21964977 | 0.59 | CYP1A2 (0.42) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20170334876-A1 | NOVEL CYCLIC COMPOUND AND OPTICAL MATERIAL COMPOSITION INCLUDING SAME | MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) | 2017-11-23 | — | — | US | disclosed |