⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6675177 | 0.69 | — | — | |
| SCHEMBL3128160 | 0.67 | — | — | |
| SCHEMBL14317991 | 0.67 | — | — | |
| SCHEMBL14658559 | 0.63 | — | — | |
| SCHEMBL27757830 | 0.62 | — | — | |
| SCHEMBL28197947 | 0.62 | — | — | |
| SCHEMBL3370199 | 0.62 | — | — | |
| SCHEMBL29213250 | 0.61 | — | — | |
| SCHEMBL29213251 | 0.61 | — | — | |
| SCHEMBL27286765 | 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 |
|---|---|---|---|---|---|---|---|
| CN-113402523-A | Targeted mast cell MrgX2 small-molecule fluorescent probe and preparation method and application thereof | 西安交通大学 | 2021-09-17 | — | — | CN | claimed |