⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19326997 | 0.69 | — | — | |
| SCHEMBL24096962 | 0.65 | TP53 (0.36) | — | |
| SCHEMBL24096970 | 0.65 | TP53 (0.36) | — | |
| SCHEMBL21164876 | 0.64 | — | — | |
| SCHEMBL31426 | 0.64 | — | — | |
| SCHEMBL25003638 | 0.62 | CA1 (0.30) | — | |
| SCHEMBL11513414 | 0.62 | — | — | |
| Hydrochloric Acid SCHEMBL2748684 | 0.62 | — | — | |
| SCHEMBL242031 | 0.62 | — | — | |
| SCHEMBL21209463 | 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-3672952-B1 | BENZIMIDAZOLE DERIVATIVES AS ADENOSINE RECEPTOR ANTAGONISTS | MERCK PATENT GMBH (DE) | 2022-12-14 | — | — | EP | disclosed |