⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14385385 | 1.00 | — | — | |
| SCHEMBL1189015 | 0.86 | — | — | |
| SCHEMBL1189014 | 0.86 | — | — | |
| SCHEMBL19816943 | 0.86 | — | — | |
| SCHEMBL9430437 | 0.86 | — | — | |
| SCHEMBL15632495 | 0.86 | — | — | |
| Hydrochloric Acid SCHEMBL17043005 | 0.83 | GBA1 (0.59) | — | |
| SCHEMBL10920685 | 0.83 | GBA1 (0.41) | — | |
| SCHEMBL10919306 | 0.83 | GBA1 (0.41) | — | |
| SCHEMBL13484321 | 0.81 | GBA1 (0.39) | — |
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-20230203049-A1 | PROCESSES FOR THE PREPARATION OF (3S,4R)-3-ETHYL-4-(3H-IMIDAZO[1,2-a]PYRROLO[2,3-e]-PYRAZIN-8-YL)-N-(2,2,2-TRIFLUOROETHYL)PYRROLIDINE-1-CARBOXAMIDE AND SOLID STATE FORMS THEREOF | ABBVIE INC. | 2023-06-29 | — | — | US | disclosed |