⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21722696 | 0.69 | — | — | |
| SCHEMBL21722684 | 0.66 | — | — | |
| SCHEMBL5174937 | 0.66 | — | — | |
| SCHEMBL19656861 | 0.62 | — | — | |
| SCHEMBL386987 | 0.60 | — | — | |
| SCHEMBL5482843 | 0.59 | DPP4 (0.40) | — | |
| SCHEMBL14270060 | 0.59 | DPP4 (0.40) | — | |
| SCHEMBL27706715 | 0.58 | — | — | |
| SCHEMBL5477828 | 0.58 | — | — | |
| SCHEMBL193120 | 0.57 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109475530-A | For treating the aminoacyl indazole immunomodulator of autoimmune disease | 洛克菲勒大学 | 2019-03-15 | — | — | CN | disclosed |