⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9218673 | 0.86 | SIGMAR1 (0.33) | — | |
| SCHEMBL8833539 | 0.86 | SIGMAR1 (0.33) | — | |
| SCHEMBL8098459 | 0.84 | CYP19A1 (0.30) | — | |
| SCHEMBL5490043 | 0.77 | SIGMAR1 (0.33) | — | |
| SCHEMBL9369573 | 0.77 | SIGMAR1 (0.33) | — | |
| SCHEMBL9220972 | 0.70 | SIGMAR1 (0.31) | — | |
| SCHEMBL8832944 | 0.70 | SIGMAR1 (0.31) | — | |
| SCHEMBL8107969 | 0.70 | ECE1 (0.32) | — | |
| SCHEMBL9027680 | 0.68 | SIGMAR1 (0.31) | — | |
| SCHEMBL9026767 | 0.68 | SIGMAR1 (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 |
|---|---|---|---|---|---|---|---|
| WO-1993011128-A1 | AMINOALKYLPYRROLIDINYLTHIOCARBAPENEM DERIVATIVES | BANYU PHARMACEUTICAL CO., LTD. (JP) | 1993-06-10 | — | — | WO | disclosed |