⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11570704 | 0.98 | — | — | |
| SCHEMBL11642443 | 0.87 | — | — | |
| SCHEMBL11569352 | 0.75 | — | — | |
| SCHEMBL31476969 | 0.73 | — | — | |
| SCHEMBL16831456 | 0.71 | MEN1 (0.31) | — | |
| SCHEMBL271911 | 0.70 | MEN1 (0.30) | — | |
| SCHEMBL10601999 | 0.69 | MET (0.32) | — | |
| SCHEMBL28577488 | 0.69 | — | — | |
| SCHEMBL11470110 | 0.69 | — | — | |
| SCHEMBL11380165 | 0.69 | — | — |
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-0001900-A1 | 9-Thia-12-azaprostanoic acid derivatives and compositions containing them | MERCK & CO. INC. (US) | 1979-05-16 | — | — | EP | disclosed |