⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1238302 | 0.74 | — | — | |
| SCHEMBL3195434 | 0.69 | — | — | |
| SCHEMBL13628761 | 0.68 | CYP2A6 (0.40) | — | |
| SCHEMBL10021905 | 0.68 | CCR1 (0.45) | — | |
| SCHEMBL101638 | 0.68 | — | — | |
| SCHEMBL21631890 | 0.67 | — | — | |
| SCHEMBL12492328 | 0.67 | HPGDS (0.47) | — | |
| SCHEMBL15481207 | 0.67 | ADORA2B (0.30) | — | |
| SCHEMBL12352749 | 0.67 | CYP2A6 (0.42) | — | |
| SCHEMBL13628736 | 0.67 | NPSR1 (0.33) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2022272060-A1 | EP2 ANTAGONIST COMPOUNDS | RESERVOIR NEUROSCIENCE, INC. (US) | 2022-12-29 | — | — | WO | disclosed |