⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4185627 | 0.67 | — | — | |
| SCHEMBL11054924 | 0.65 | — | — | |
| SCHEMBL21765998 | 0.61 | — | — | |
| SCHEMBL23761346 | 0.59 | — | — | |
| SCHEMBL244613 | 0.53 | — | — | |
| SCHEMBL875020 | 0.53 | — | — | |
| SCHEMBL8966333 | 0.53 | — | — | |
| SCHEMBL19018621 | 0.50 | — | — | |
| SCHEMBL17850030 | 0.50 | — | — | |
| SCHEMBL14142074 | 0.49 | — | — |
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-0134301-A1 | 6-(1'-Hydroxyethyl)-3-substituted amino-1-azabicyclo(3.2.0)-hept-2-en-7-one-2-carboxylic acid | MERCK & CO. INC. (US) | 1985-03-20 | — | — | EP | disclosed |