⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18028660 | 0.77 | SLC22A2 (0.40) | — | |
| SCHEMBL31345052 | 0.69 | — | — | |
| SCHEMBL25237741 | 0.69 | — | — | |
| SCHEMBL25661411 | 0.67 | GRM1 (0.52) | — | |
| Hydrochloric Acid SCHEMBL25211924 | 0.67 | MEN1 (0.36) | — | |
| Hydrochloric Acid SCHEMBL18631597 | 0.66 | GRM1 (0.50) | — | |
| SCHEMBL20042203 | 0.65 | SMN1; SMN2 (0.42) | — | |
| SCHEMBL20042205 | 0.65 | SMN1; SMN2 (0.42) | — | |
| SCHEMBL20042211 | 0.65 | SMN1; SMN2 (0.42) | — | |
| SCHEMBL11634453 | 0.64 | SLC22A2 (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 |
|---|---|---|---|---|---|---|---|
| EP-3616753-A1 | COMPOUNDS FOR MODULATING ADENOSINE A2B RECEPTOR AND ADENOSINE A2A RECEPTOR | Corvus Pharmaceuticals, Inc. (US) | 2020-03-04 | — | — | EP | disclosed |