⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22837884 | 0.92 | GMPS (0.34) | — | |
| SCHEMBL22837885 | 0.92 | TRPM2 (0.36) | — | |
| SCHEMBL22837937 | 0.85 | — | — | |
| SCHEMBL22837935 | 0.82 | TRPM2 (0.36) | — | |
| SCHEMBL20711325 | 0.82 | — | — | |
| SCHEMBL22837897 | 0.80 | TRPM2 (0.41) | — | |
| SCHEMBL22837899 | 0.76 | TRPM2 (0.42) | — | |
| SCHEMBL22837883 | 0.76 | ADORA3 (0.37) | — | |
| SCHEMBL20097184 | 0.75 | — | — | |
| SCHEMBL22837900 | 0.75 | ADORA3 (0.36) | — |
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-10874686-B2 | Anthranilyl-adenosinemonosulfamate analogs and uses thereof | MEMORIAL SLOAN-KETTERING CANCER CENTER (US) | 2020-12-29 | — | — | US | disclosed |