⚠ 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 | |
|---|---|---|---|---|
| Iodide SCHEMBL11062993 | 0.74 | — | — | |
| SCHEMBL23702664 | 0.74 | TDP1 (0.38) | — | |
| SCHEMBL8932398 | 0.73 | — | — | |
| SCHEMBL4997664 | 0.73 | — | — | |
| SCHEMBL19114487 | 0.69 | — | — | |
| SCHEMBL1862861 | 0.67 | ALDH1A1 (0.32) | — | |
| SCHEMBL254299 | 0.66 | — | — | |
| SCHEMBL15009710 | 0.65 | DGAT1 (0.34) | — | |
| SCHEMBL5744412 | 0.65 | — | — | |
| SCHEMBL3424556 | 0.65 | — | — |
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-0010242-B1 | BENZIMIDAZOLYL-2-CARBAMIC ACID ESTERS, MEDICAMENTS BASED THEREON AND PROCESS FOR THEIR PREPARATION | BAYER AG (DE) | 1982-09-29 | — | — | EP | disclosed |