⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4082492 | 0.69 | — | — | |
| SCHEMBL989895 | 0.67 | CES1 (0.38) | — | |
| SCHEMBL28886218 | 0.64 | — | — | |
| SCHEMBL13141066 | 0.64 | — | — | |
| SCHEMBL10026832 | 0.64 | GAA (0.31) | — | |
| SCHEMBL17790178 | 0.64 | — | — | |
| SCHEMBL2094005 | 0.64 | — | — | |
| SCHEMBL9369528 | 0.64 | — | — | |
| SCHEMBL671426 | 0.61 | PSEN1 (0.40) | — | |
| SCHEMBL28374547 | 0.60 | GAA (0.32) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0274009-B1 | OXADIAZOLYLACETONITRILES, THEIR PREPARATION AND USE | NOVO NORDISK A/S (DK) | 1992-09-09 | — | — | EP | claimed |
| US-4670433-A | CARDIOVASCULAR DISORDERS | A/S FERROSAN (DK) | 1987-06-02 | — | — | US | disclosed |