⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9020712 | 1.00 | — | — | |
| SCHEMBL9020698 | 1.00 | — | — | |
| SCHEMBL9754725 | 0.86 | CYP19A1 (0.31) | — | |
| SCHEMBL9020557 | 0.86 | CYP19A1 (0.31) | — | |
| SCHEMBL9020562 | 0.86 | CYP19A1 (0.31) | — | |
| SCHEMBL9020433 | 0.86 | — | — | |
| SCHEMBL9754760 | 0.86 | — | — | |
| SCHEMBL9020427 | 0.86 | — | — | |
| SCHEMBL7805556 | 0.79 | ECE1 (0.34) | — | |
| SCHEMBL9754727 | 0.78 | NR1D1 (0.36) | — |
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-1991014687-A1 | 2-(SUBSTITUTED PYRROLIDINYLTHIO)CARBAPENEM DERIVATIVES | BANYU PHARMACEUTICAL CO., LTD. (JP) | 1991-10-03 | — | — | WO | disclosed |