⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10969580 | 0.70 | — | — | |
| SCHEMBL11017808 | 0.65 | — | — | |
| SCHEMBL1723273 | 0.61 | — | — | |
| SCHEMBL4555131 | 0.58 | — | — | |
| SCHEMBL6473519 | 0.53 | — | — | |
| SCHEMBL3990750 | 0.50 | CA1 (0.36) | — | |
| SCHEMBL6718539 | 0.42 | — | — | |
| SCHEMBL27789775 | 0.40 | — | — | |
| Bicarbonate SCHEMBL6454693 | 0.35 | — | — | |
| SCHEMBL129884 | 0.34 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0091464-B1 | METHOD FOR THE PREPARATION OF CYANO-HETEROCYCLES | SCHERING AKTIENGESELLSCHAFT (DE) | 1986-04-16 | — | — | EP | disclosed |
| EP-0091464-A1 | METHOD FOR THE PREPARATION OF CYANO-HETEROCYCLES. | SCHERING AG (DE) | 1983-10-19 | — | — | EP | disclosed |
| WO-1983001446-A1 | METHOD FOR THE PREPARATION OF CYANO-HETEROCYCLES | VORBRÜGGEN, Helmut | 1983-04-28 | — | — | WO | disclosed |