⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7265102 | 1.00 | — | — | |
| SCHEMBL8786738 | 1.00 | — | — | |
| SCHEMBL17293582 | 0.84 | — | — | |
| SCHEMBL17293338 | 0.84 | — | — | |
| SCHEMBL17293469 | 0.84 | — | — | |
| SCHEMBL24425971 | 0.72 | — | — | |
| SCHEMBL13494257 | 0.72 | — | — | |
| SCHEMBL7431017 | 0.72 | — | — | |
| SCHEMBL13370650 | 0.70 | — | — | |
| SCHEMBL4017747 | 0.70 | — | — |
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-0729456-A1 | NOVEL PROCESS FOR PREPARING (S)-1-[2(S)-(1,3-DIHYDRO-1,3-DIOXO-ISOINDOL-2-YL)-1-OXO-3-PHENYLPROPYL]-1,2,3,4-TETRAHYDRO-2-PYRIDINE-CARBOXYLIC ACID METHYL ESTER AND INTERMEDIATES THEREOF | MERRELL PHARMACEUTICALS INC. (US) | 1996-09-04 | — | — | EP | claimed |
| WO-1995014663-A2 | NOVEL PROCESS FOR PREPARING (S)-1-[2(S)-(1,3-DIHYDRO-1,3-DIOXO-ISOINDO-2-YL)-1-OXO-3-PHENYLPROPYL]-1,2,3,4-TETRAHYDRO-2-PYRIDINE-CARBOXYLIC ACID METHYL ESTER AND INTERMEDIATES THEREOF | MERRELL PHARMACEUTICALS INC. (US) | 1995-06-01 | — | — | WO | claimed |