⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7999616 | 0.81 | — | — | |
| SCHEMBL20149249 | 0.79 | — | — | |
| SCHEMBL7928498 | 0.79 | ALDH1A1 (0.43) | — | |
| SCHEMBL1838332 | 0.79 | — | — | |
| SCHEMBL14272686 | 0.79 | — | — | |
| SCHEMBL29367119 | 0.77 | — | — | |
| SCHEMBL14272692 | 0.76 | ALDH1A1 (0.45) | — | |
| SCHEMBL3504388 | 0.76 | ALDH1A1 (0.45) | — | |
| SCHEMBL873344 | 0.74 | ALDH1A1 (0.54) | — | |
| SCHEMBL13201276 | 0.73 | — | — |
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-0080530-B1 | HYDRAULIC FLUIDS CONTAINING CYANO DERIVATIVES OF CYCLIC KETALS AND ACETALS | THE DOW CHEMICAL COMPANY (US) | 1985-08-28 | — | — | EP | disclosed |
| EP-0080530-A1 | Hydraulic fluids containing cyano derivatives of cyclic ketals and acetals | THE DOW CHEMICAL COMPANY (US) | 1983-06-08 | — | — | EP | disclosed |
| US-4320024-A | Hydraulic fluids containing cyano derivatives of cyclic ketals and acetals | THE DOW CHEMICAL COMPANY (US) | 1982-03-16 | — | — | US | disclosed |