⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL25930702 | 0.78 | — | — | |
| SCHEMBL25926769 | 0.76 | PER2 (0.33) | — | |
| SCHEMBL25930700 | 0.59 | — | — | |
| SCHEMBL22073364 | 0.55 | — | — | |
| SCHEMBL24294120 | 0.54 | CYP2D6 (0.35) | — | |
| SCHEMBL24393732 | 0.53 | — | — | |
| SCHEMBL22879665 | 0.52 | EPHX2 (0.32) | — | |
| SCHEMBL123232 | 0.49 | PER2 (0.39) | — | |
| SCHEMBL25926779 | 0.49 | — | — | |
| SCHEMBL25926767 | 0.49 | — | — |
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-20230250095-A1 | BENZIMIDAZOLE DERIVATIVES, PREPARATION METHOD THEREFOR AND MEDICAL USE THEREOF | TUOJIE BIOTECH(SHANGHAI) CO., LTD. (CN) | 2023-08-10 | — | — | US | disclosed |