⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8822745 | 0.82 | MTNR1A (0.40) | — | |
| SCHEMBL7056901 | 0.74 | — | — | |
| SCHEMBL7055930 | 0.73 | MTNR1A (0.37) | — | |
| SCHEMBL7055084 | 0.70 | MTNR1A (0.54) | — | |
| SCHEMBL7055798 | 0.69 | EGFR (0.30) | — | |
| SCHEMBL7058558 | 0.69 | MTNR1A (0.37) | — | |
| SCHEMBL7053360 | 0.69 | MTNR1A (0.43) | — | |
| SCHEMBL7055794 | 0.69 | — | — | |
| SCHEMBL7051623 | 0.67 | LMNA (0.31) | — | |
| SCHEMBL7057717 | 0.61 | MTNR1A (0.53) | — |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0656209-B1 | Melatonin derivatives for use in treating desynchronization disorders | LILLY CO ELI (US) | 2003-05-07 | — | — | EP | disclosed |
| EP-0655243-B1 | Melatonin derivatives for use in treating sleep disorders | LILLY CO ELI (US) | 2002-08-21 | — | — | EP | disclosed |
| US-6180657-B1 | SLEEP DISORDERS | ELI LILLY AND COMPANY | 2001-01-30 | — | — | US | disclosed |
| CN-1191484-A | Melatonin agonists for treating benign prostatic hyperplasia | LILLY CO ELI (US) | 1998-08-26 | — | — | CN | disclosed |
| US-5654325-A | Melatonin derivatives for use in treating sleep disorders | ELI LILLY AND COMPANY (US) | 1997-08-05 | — | — | US | disclosed |
| EP-0748627-A2 | Melatonin agonists for use in the treatment of benign prostatic hyperplasia | ELI LILLY AND COMPANY (US) | 1996-12-18 | — | — | EP | disclosed |
| EP-0656209-A2 | Melatonin derivatives for use in treating desynchronization disorders | ELI LILLY AND COMPANY (US) | 1995-06-07 | — | — | EP | disclosed |
| EP-0655243-A2 | Melatonin derivatives for use in treating sleep disorders | ELI LILLY AND COMPANY (US) | 1995-05-31 | — | — | EP | disclosed |
| US-4997845-A | β-alkylmelatonins as ovulation inhibitors | ELI LILLY AND COMPANY (US) | 1991-03-05 | — | — | US | disclosed |