⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19412594 | 0.65 | — | — | |
| SCHEMBL5496757 | 0.65 | — | — | |
| SCHEMBL4459428 | 0.64 | MAPK1 (0.32) | — | |
| SCHEMBL11412577 | 0.63 | — | — | |
| SCHEMBL7063977 | 0.63 | — | — | |
| SCHEMBL19230164 | 0.61 | KMT2A (0.38) | — | |
| Pivalate SCHEMBL11506160 | 0.61 | TSHR (0.40) | — | |
| SCHEMBL8440196 | 0.60 | — | — | |
| SCHEMBL9944321 | 0.60 | — | — | |
| SCHEMBL7022197 | 0.58 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0597401-A2 | Production of penem | Takeda Chemical Industries, Ltd. (JP) | 1994-05-18 | — | — | EP | disclosed |