⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL30491916 | 0.78 | — | — | |
| SCHEMBL28074105 | 0.73 | — | — | |
| SCHEMBL30973646 | 0.59 | — | — | |
| SCHEMBL30491972 | 0.56 | — | — | |
| SCHEMBL30491936 | 0.55 | — | — | |
| SCHEMBL12079525 | 0.53 | — | — | |
| SCHEMBL7366717 | 0.53 | — | — | |
| SCHEMBL12079523 | 0.53 | — | — | |
| SCHEMBL14273099 | 0.52 | — | — | |
| SCHEMBL18320895 | 0.48 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2023016521-A1 | SUBSTITUTED TRIAZOLE DERIVATIVE, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION THEREOF, AND USE THEREOF | 上海赛默罗生物科技有限公司 | 2023-02-16 | — | — | WO | disclosed |
| 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 |
| WO-2003051868-A1 | LACTAMS AS TACHYKININ ANTAGONISTS | PFIZER LIMITED (GB) | 2003-06-26 | — | — | WO | disclosed |