⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10270760 | 0.73 | — | — | |
| SCHEMBL10439349 | 0.71 | CYP1A2 (0.35) | — | |
| SCHEMBL16532930 | 0.68 | — | — | |
| SCHEMBL13767871 | 0.67 | — | — | |
| SCHEMBL25616517 | 0.66 | — | — | |
| Hydrochloric Acid SCHEMBL10969135 | 0.66 | — | — | |
| SCHEMBL4951242 | 0.66 | — | — | |
| Hydrochloric Acid SCHEMBL9702557 | 0.64 | — | — | |
| SCHEMBL9701498 | 0.63 | — | — | |
| Hydrochloric Acid SCHEMBL9700681 | 0.62 | — | — |
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-0369944-A1 | Substituted oxadiamino butanes | CIBA-GEIGY AG (CH) | 1990-05-23 | — | — | EP | disclosed |