⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8998955 | 0.92 | — | — | |
| SCHEMBL8999004 | 0.92 | — | — | |
| SCHEMBL8999175 | 0.89 | — | — | |
| SCHEMBL8999041 | 0.85 | — | — | |
| SCHEMBL8999143 | 0.85 | — | — | |
| SCHEMBL8998881 | 0.84 | — | — | |
| SCHEMBL8998869 | 0.84 | — | — | |
| SCHEMBL8998894 | 0.84 | — | — | |
| SCHEMBL8998934 | 0.83 | — | — | |
| SCHEMBL8998972 | 0.82 | — | — |
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-5554624-A | CONGESTIVE HEART FAILURE; HYPOTENSIVE AGENTS | J. URIACH & CIA. (ES) | 1996-09-10 | — | — | US | disclosed |