⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5223024 | 0.77 | — | — | |
| SCHEMBL7451192 | 0.67 | — | — | |
| SCHEMBL20458836 | 0.65 | DPP4 (0.44) | — | |
| SCHEMBL28026996 | 0.64 | — | — | |
| SCHEMBL14436239 | 0.64 | DPP7 (0.42) | — | |
| SCHEMBL228058 | 0.63 | — | — | |
| SCHEMBL7654333 | 0.63 | — | — | |
| SCHEMBL13850701 | 0.62 | TSHR (0.48) | — | |
| SCHEMBL8414719 | 0.61 | — | — | |
| SCHEMBL182913 | 0.59 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-5496833-A | BRONCHODILATOR, ANTIINFLAMMATORY, ANTIARTHRITIC, ANALGESIC, AND ANTIMIGRAINE AGENTS | MERCK SHARP & DOHME LIMITED (GB) | 1996-03-05 | — | — | US | disclosed |
| US-5444074-A | Treating diseases associated with excess of substance P | MERCK SHARP & DOHME LIMITED (GB) | 1995-08-22 | — | — | US | disclosed |
| WO-1993021181-A1 | AZACYCLIC COMPOUNDS | MERCK SHARP & DOHME LIMITED (GB) | 1993-10-28 | — | — | WO | disclosed |