⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20623995 | 0.68 | DYRK1A (0.38) | — | |
| SCHEMBL20623471 | 0.63 | — | — | |
| SCHEMBL20626385 | 0.62 | — | — | |
| SCHEMBL24343961 | 0.62 | PDPK1 (0.34) | — | |
| SCHEMBL22666661 | 0.61 | APP (0.36) | — | |
| SCHEMBL24603484 | 0.59 | — | — | |
| SCHEMBL23176276 | 0.54 | — | — | |
| SCHEMBL11337106 | 0.54 | — | — | |
| SCHEMBL22384848 | 0.51 | — | — | |
| SCHEMBL13398401 | 0.48 | ALDH1A1 (0.33) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-11192918-B2 | Multicyclic peptides and methods for their preparation | STICHTING VOOR DE TECHNISCHE WETENSCHAPPEN (NL) | 2021-12-07 | — | — | US | disclosed |
| US-20200239516-A1 | Multicyclic Peptides and Methods for Their Preparation | UNIVERSITEIT VAN AMSTERDAM (NL) | 2020-07-30 | — | — | US | disclosed |