⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8108077 | 0.80 | — | — | |
| SCHEMBL7820642 | 0.64 | LMNA (0.33) | — | |
| SCHEMBL31091254 | 0.63 | ACLY (0.31) | — | |
| SCHEMBL16285036 | 0.61 | — | — | |
| SCHEMBL28358175 | 0.61 | ACLY (0.44) | — | |
| SCHEMBL21755560 | 0.59 | — | — | |
| SCHEMBL7833001 | 0.59 | — | — | |
| SCHEMBL5704578 | 0.58 | — | — | |
| SCHEMBL8390470 | 0.56 | — | — | |
| SCHEMBL13387171 | 0.55 | TSHR (0.38) | — |
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-1015479-A4 | COMBINATORIAL LIBRARIES OF PEPTIDOMIMETIC MACROCYCLES AND PROCESSES THEREFOR | LILLY CO ELI (US) | 2002-07-24 | — | — | EP | disclosed |
| EP-1015479-A1 | COMBINATORIAL LIBRARIES OF PEPTIDOMIMETIC MACROCYCLES AND PROCESSES THEREFOR | ELI LILLY AND COMPANY (US) | 2000-07-05 | — | — | EP | disclosed |
| WO-1998046631-A1 | COMBINATORIAL LIBRARIES OF PEPTIDOMIMETIC MACROCYCLES AND PROCESSES THEREFOR | ELI LILLY AND COMPANY (US) | 1998-10-22 | — | — | WO | disclosed |