⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7444579 | 0.81 | — | — | |
| SCHEMBL18612421 | 0.57 | AGTR2 (0.32) | — | |
| SCHEMBL21802037 | 0.57 | AGTR2 (0.32) | — | |
| SCHEMBL7444574 | 0.57 | — | — | |
| SCHEMBL2345097 | 0.56 | ACE (0.45) | — | |
| SCHEMBL2345094 | 0.56 | ACE (0.45) | — | |
| SCHEMBL14952873 | 0.56 | — | — | |
| SCHEMBL13285262 | 0.55 | PHGDH (0.43) | — | |
| SCHEMBL289579 | 0.55 | P2RX7 (0.51) | — | |
| SCHEMBL289664 | 0.55 | P2RX7 (0.51) | — |
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-0481522-B1 | Novel mercaptoacetylamide derivatives useful as inhibitors of enkephalinase and ace | MERRELL PHARMA INC (US) | 1997-12-29 | — | — | EP | disclosed |
| US-5389628-A | Amino and nitro containing tricyclic compounds useful as inhibitors of ace | MERRELL DOW PHARMACEUTICALS INC. (US) | 1995-02-14 | — | — | US | disclosed |