⚠ 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 | |
|---|---|---|---|---|
| Acetic Acid SCHEMBL27741229 | 0.88 | — | — | |
| SCHEMBL5861161 | 0.83 | — | — | |
| Pyruvate SCHEMBL27686526 | 0.82 | TSHR (0.38) | — | |
| Acetone SCHEMBL28645033 | 0.82 | LMNA (0.40) | — | |
| SCHEMBL7018138 | 0.80 | — | — | |
| Acetone SCHEMBL27323805 | 0.78 | — | — | |
| Acetone SCHEMBL27619352 | 0.78 | LMNA (0.55) | — | |
| Acetone SCHEMBL3630814 | 0.75 | — | — | |
| Acetone SCHEMBL5981977 | 0.72 | LMNA (0.46) | — | |
| Trifluoroacetic Acid SCHEMBL6598737 | 0.72 | LMNA (0.46) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-1090617-C | Pyrrole derivatives and pharmaceutical compositions | NIPPON SHINYAKU CO LTD (JP) | 2002-09-11 | — | — | CN | disclosed |
| CN-1186485-A | Pyrrole derivatives and pharmaceutical compositions | NIPPON SHINYAKU CO LTD (JP) | 1998-07-01 | — | — | CN | disclosed |