⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6536931 | 0.80 | HMGCR (0.52) | — | |
| SCHEMBL289826 | 0.78 | — | — | |
| SCHEMBL7252624 | 0.76 | HMGCR (0.61) | — | |
| SCHEMBL544642 | 0.76 | HMGCR (0.61) | — | |
| SCHEMBL20425149 | 0.74 | HMGCR (0.46) | — | |
| SCHEMBL7303449 | 0.72 | TSHR (0.42) | — | |
| SCHEMBL5203260 | 0.72 | HMGCR (0.44) | — | |
| SCHEMBL20220523 | 0.72 | HMGCR (0.44) | — | |
| SCHEMBL445203 | 0.71 | — | — | |
| SCHEMBL10577212 | 0.71 | HMGCR (0.55) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0516980-B1 | Novel 2-mercaptomethylene-tetrahydronaphthalene and indane-2-carboxamide derivatives as enkephalinase inhibitors | MERRELL PHARMA INC (US) | 1996-04-17 | — | — | EP | disclosed |
| US-5252601-A | 2-mercaptomethylene-tetrahydronaphthalene and indane-2-carboxamide derivatives as enkephalinase inhibitors | MERRELL DOW PHARMACEUTICALS INC. (US) | 1993-10-12 | — | — | US | disclosed |
| EP-0516980-A1 | Novel 2-mercaptomethylene-tetrahydronaphthalene and indane-2-carboxamide derivatives as enkephalinase inhibitors | MERRELL PHARMACEUTICALS INC. (US) | 1992-12-09 | — | — | EP | disclosed |