⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4480221 | 0.69 | — | — | |
| SCHEMBL4480215 | 0.69 | — | — | |
| SCHEMBL18884494 | 0.69 | — | — | |
| SCHEMBL4467824 | 0.69 | — | — | |
| SCHEMBL6367609 | 0.69 | — | — | |
| SCHEMBL4467830 | 0.69 | — | — | |
| SCHEMBL20708084 | 0.65 | — | — | |
| SCHEMBL12110192 | 0.65 | DPP4 (0.35) | — | |
| SCHEMBL1150995 | 0.64 | DPP4 (0.40) | — | |
| SCHEMBL15699140 | 0.60 | DPP4 (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 |
|---|---|---|---|---|---|---|---|
| EP-0705255-B1 | N-MORPHOLINO-N-NITROSAMINOACETONITRIL CYCLODEXTRIN INCLUSION COMPLEXES | THERABEL IND SA (FR) | 2000-11-22 | — | — | EP | disclosed |