⚠ 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 | |
|---|---|---|---|---|
| Ethylenediamine SCHEMBL7744881 | 0.60 | — | — | |
| SCHEMBL6751896 | 0.59 | — | — | |
| SCHEMBL425052 | 0.59 | — | — | |
| SCHEMBL4404694 | 0.56 | — | — | |
| SCHEMBL55904 | 0.56 | — | — | |
| SCHEMBL10028832 | 0.56 | — | — | |
| SCHEMBL17707877 | 0.56 | — | — | |
| SCHEMBL29126807 | 0.56 | — | — | |
| SCHEMBL571392 | 0.54 | — | — | |
| SCHEMBL5005836 | 0.54 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-5463073-A | Angiotensin II antagonists | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1995-10-31 | — | — | US | claimed |