⚠ 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 | |
|---|---|---|---|---|
| Trifluoroacetic Acid SCHEMBL9567121 | 1.00 | — | — | |
| Trifluoroacetic Acid SCHEMBL9567120 | 1.00 | — | — | |
| Trifluoroacetic Acid SCHEMBL9596035 | 1.00 | — | — | |
| Trifluoroacetic Acid SCHEMBL9595032 | 0.83 | — | — | |
| Trifluoroacetic Acid SCHEMBL9567237 | 0.83 | — | — | |
| Trifluoroacetic Acid SCHEMBL9567235 | 0.83 | — | — | |
| Trifluoroacetic Acid SCHEMBL9595039 | 0.83 | — | — | |
| SCHEMBL9266909 | 0.80 | SIGMAR1 (0.33) | — | |
| SCHEMBL9271609 | 0.80 | SIGMAR1 (0.33) | — | |
| SCHEMBL9595978 | 0.74 | SIGMAR1 (0.32) | — |
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-1993001192-A1 | 2-(2-SUBSTITUTED PYRROLIDINYLTHIO)CARBAPENEM DERIVATIVES | BANYU PHARMACEUTICAL CO., LTD. (JP) | 1993-01-21 | — | — | WO | disclosed |