⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27530838 | 0.86 | — | — | |
| Bromide SCHEMBL1730872 | 0.82 | F2R (0.33) | — | |
| SCHEMBL27505356 | 0.73 | F2R (0.43) | — | |
| SCHEMBL27527339 | 0.72 | F2R (0.38) | — | |
| Bromide SCHEMBL5488801 | 0.69 | F2R (0.31) | — | |
| Bromide SCHEMBL5488877 | 0.63 | F2R (0.39) | — | |
| Hydrochloric Acid SCHEMBL5488919 | 0.63 | F2R (0.38) | — | |
| Bromide SCHEMBL1730915 | 0.62 | F2R (0.40) | — | |
| Bromide SCHEMBL1729538 | 0.62 | F2R (0.39) | — | |
| Bromide SCHEMBL1730040 | 0.61 | F2R (0.31) | — |
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-1243735-C | 2-iminopyrrolidine derivatives | EISAI CO LTD (JP) | 2006-03-01 | — | — | CN | disclosed |