⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28631775 | 0.82 | SLC1A2 (0.31) | — | |
| SCHEMBL27265120 | 0.77 | MEN1 (0.34) | — | |
| SCHEMBL28128558 | 0.70 | — | — | |
| SCHEMBL2760234 | 0.68 | ALOX15 (0.45) | — | |
| SCHEMBL16056994 | 0.68 | ALOX15 (0.45) | — | |
| Hydrochloric Acid SCHEMBL25333656 | 0.67 | CYP1A2 (0.44) | — | |
| SCHEMBL29537341 | 0.67 | NOS2 (0.38) | — | |
| SCHEMBL25922432 | 0.67 | CHRNB2 (0.33) | — | |
| Hydrochloric Acid SCHEMBL30484723 | 0.66 | CHRNB2 (0.32) | — | |
| SCHEMBL20239212 | 0.66 | CYP1A2 (0.40) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7060836-B2 | Lactams as tachykinin antagonists | PFIZER, INC (US) | 2006-06-13 | — | — | US | disclosed |
| EP-1456200-A1 | LACTAMS AS TACHYKININ ANTAGONISTS | Pfizer Limited (GB) | 2004-09-15 | — | — | EP | disclosed |
| US-20040132710-A1 | Lactams as tachkinin antagonists | PFIZER INC. | 2004-07-08 | — | — | US | disclosed |
| WO-2003051868-A1 | LACTAMS AS TACHYKININ ANTAGONISTS | PFIZER LIMITED (GB) | 2003-06-26 | — | — | WO | disclosed |