⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3857558 | 0.82 | — | — | |
| SCHEMBL23544803 | 0.76 | CA1 (0.45) | — | |
| Acetonitrile SCHEMBL28052045 | 0.75 | ALDH1A1 (0.31) | — | |
| SCHEMBL9765930 | 0.73 | — | — | |
| SCHEMBL21557607 | 0.73 | — | — | |
| SCHEMBL11777375 | 0.72 | LMNA (0.41) | — | |
| SCHEMBL26454422 | 0.70 | CA1 (0.39) | — | |
| SCHEMBL11331193 | 0.70 | ALDH1A1 (0.42) | — | |
| SCHEMBL6687143 | 0.70 | — | — | |
| SCHEMBL11070712 | 0.68 | TSHR (0.37) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8632953-B2 | Process for making lithographic printing plate | FUJIFILM CORPORATION (JP) | 2014-01-21 | — | — | US | disclosed |
| US-20100081090-A1 | PROCESS FOR MAKING LITHOGRAPHIC PRINTING PLATE | FUJIFILM CORPORATION (JP) | 2010-04-01 | — | — | US | disclosed |
| US-4012401-A | USED IN THE PRODUCTION OF POLYURETHANE FOAMS, CYANOALKOXYALKYL-MODIFIED | UNION CARBIDE CORPORATION (US) | 1977-03-15 | — | — | US | disclosed |
| US-3966784-A | CYANOALKYL MODIFIED SILOXANE FLUID | UNION CARBIDE CORPORATION (US) | 1976-06-29 | — | — | US | disclosed |
| US-3966650-A | HIGH RESILIENCE, CYANOALKOXY-ALKYL MODIFIED SILOXANE FLUID | UNION CARBIDE CORPORATION (US) | 1976-06-29 | — | — | US | disclosed |