⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11564800 | 0.80 | — | — | |
| SCHEMBL962551 | 0.78 | — | — | |
| SCHEMBL54974 | 0.77 | — | — | |
| SCHEMBL2452292 | 0.77 | — | — | |
| Ammonia Solution, Strong SCHEMBL21048943 | 0.76 | — | — | |
| SCHEMBL28427853 | 0.75 | — | — | |
| SCHEMBL17650 | 0.72 | ALDH1A1 (0.33) | — | |
| SCHEMBL6510546 | 0.70 | CA12 (0.39) | — | |
| SCHEMBL28809634 | 0.70 | CA12 (0.31) | — | |
| SCHEMBL3371255 | 0.68 | CA12 (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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0266895-A2 | Dioxolane, diol and diacrylate silicon compounds and method for their preparation and use | DOW CORNING CORPORATION (US) | 1988-05-11 | — | — | EP | disclosed |