⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8536436 | 1.00 | — | — | |
| SCHEMBL16609323 | 0.85 | GRIK1 (0.31) | — | |
| SCHEMBL4514756 | 0.76 | — | — | |
| SCHEMBL20508392 | 0.76 | TSHR (0.40) | — | |
| SCHEMBL11352370 | 0.76 | — | — | |
| SCHEMBL720247 | 0.74 | — | — | |
| SCHEMBL25380307 | 0.72 | — | — | |
| SCHEMBL4520290 | 0.72 | — | — | |
| Potassium SCHEMBL31499006 | 0.72 | — | — | |
| Butane SCHEMBL1883699 | 0.72 | GRIK1 (0.31) | — |
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-5714356-A | Enzymic process for preparing aliphatic S-cyanohydrins | DSM CHEMIE LINZ GMBH (AT) | 1998-02-03 | — | — | US | disclosed |