⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18153853 | 1.00 | — | — | |
| SCHEMBL4559187 | 1.00 | — | — | |
| Ethylene Glycol SCHEMBL1631800 | 0.95 | AKR1B1 (0.40) | — | |
| Ethylene Glycol SCHEMBL1631025 | 0.95 | AKR1B1 (0.40) | — | |
| Ethylene Glycol SCHEMBL1630734 | 0.95 | AKR1B1 (0.40) | — | |
| SCHEMBL5410871 | 0.80 | ACHE (0.46) | — | |
| SCHEMBL692765 | 0.77 | — | — | |
| SCHEMBL619201 | 0.77 | — | — | |
| SCHEMBL7276810 | 0.77 | — | — | |
| SCHEMBL1224782 | 0.77 | HDAC2 (0.50) | — |
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-3901156-A1 | NITROOXYDERIVATIVE OF ROCK KINASE INHIBITOR | Vivavision (Shanghai) Ltd (CN) | 2021-10-27 | — | — | EP | disclosed |