⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10288635 | 0.67 | — | — | |
| SCHEMBL12064943 | 0.61 | — | — | |
| SCHEMBL742932 | 0.61 | ALDH1A1 (0.41) | — | |
| SCHEMBL296128 | 0.56 | — | — | |
| Ethylene Glycol SCHEMBL651562 | 0.52 | TSHR (0.71) | — | |
| Ethylene Glycol SCHEMBL2954500 | 0.52 | TSHR (0.71) | — | |
| Ethylene Glycol SCHEMBL5145867 | 0.52 | TSHR (0.71) | — | |
| Ethylene Glycol SCHEMBL9768800 | 0.52 | TSHR (0.71) | — | |
| Ethylene Glycol SCHEMBL3486924 | 0.52 | TSHR (0.71) | — | |
| Ethylene Glycol SCHEMBL3359591 | 0.52 | TSHR (0.71) | — |
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-9125856-B1 | Method of stabilizing human eye tissue | THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) | 2015-09-08 | — | — | US | disclosed |