⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16992021 | 1.00 | — | — | |
| SCHEMBL9399077 | 0.88 | NR1H2 (0.31) | — | |
| SCHEMBL9399242 | 0.84 | SRC (0.32) | — | |
| SCHEMBL9399181 | 0.84 | — | — | |
| SCHEMBL31040364 | 0.84 | — | — | |
| SCHEMBL8106371 | 0.83 | SRC (0.31) | — | |
| SCHEMBL9020488 | 0.81 | SRC (0.32) | — | |
| SCHEMBL9020209 | 0.78 | — | — | |
| SCHEMBL8107529 | 0.75 | MEN1 (0.33) | — | |
| SCHEMBL8107527 | 0.75 | MEN1 (0.33) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-5374720-A | A thienamycins bactericides has nontoxic, side effect reduction against the kidney and central nervous system | BANYU PHARMACEUTICAL CO., LTD. (JP) | 1994-12-20 | — | — | US | disclosed |