⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7241065 | 0.70 | — | — | |
| SCHEMBL1705196 | 0.69 | — | — | |
| SCHEMBL22210599 | 0.69 | — | — | |
| SCHEMBL18684605 | 0.65 | — | — | |
| SCHEMBL10297537 | 0.65 | — | — | |
| SCHEMBL21775743 | 0.62 | — | — | |
| SCHEMBL7570745 | 0.62 | — | — | |
| SCHEMBL23902059 | 0.61 | — | — | |
| SCHEMBL7271602 | 0.61 | NOS2 (0.57) | — | |
| SCHEMBL22946077 | 0.60 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-10710962-B2 | Zwitterionic reagents | SIEMENS HEALTHCARE DIAGNOSTICS INC. (US) | 2020-07-14 | — | — | US | disclosed |