⚠ 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 | |
|---|---|---|---|---|
| Biphenyl SCHEMBL27598181 | 0.82 | ALDH1A1 (0.60) | — | |
| Alcohol SCHEMBL2443956 | 0.75 | — | — | |
| Ethyl Chloride SCHEMBL27638545 | 0.75 | — | — | |
| SCHEMBL8779990 | 0.72 | HTT (0.45) | — | |
| SCHEMBL30589936 | 0.71 | ALDH1A1 (0.55) | — | |
| SCHEMBL30135412 | 0.71 | ALDH1A1 (0.55) | — | |
| SCHEMBL9737 | 0.71 | — | — | |
| SCHEMBL6324774 | 0.71 | — | — | |
| SCHEMBL11310791 | 0.69 | MKNK1 (0.56) | — | |
| SCHEMBL187751 | 0.69 | HRH3 (0.47) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-105408399-A | Novel polymers and thermosetting compositions containing same | FUJIFILM ELECTRONIC MAT USA INC | 2016-03-16 | — | — | CN | disclosed |