⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15422921 | 0.74 | — | — | |
| SCHEMBL25832377 | 0.74 | ALDH1A1 (0.40) | — | |
| SCHEMBL25388208 | 0.70 | — | — | |
| SCHEMBL20086324 | 0.70 | — | — | |
| SCHEMBL21942581 | 0.70 | — | — | |
| SCHEMBL31678595 | 0.70 | — | — | |
| SCHEMBL8474751 | 0.70 | — | — | |
| SCHEMBL10821821 | 0.70 | — | — | |
| SCHEMBL5585217 | 0.69 | — | — | |
| SCHEMBL14498531 | 0.69 | — | — |
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-1993014083-A1 | PHARMACEUTICALLY ACTIVE SUBSTITUTED BENZIMIDAZOLE DERIVATIVES | JANSSEN PHARMACEUTICA N.V. (BE) | 1993-07-22 | — | — | WO | disclosed |