⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL35924 | 0.97 | — | — | |
| Hydrochloric Acid SCHEMBL10707245 | 0.95 | — | — | |
| SCHEMBL28128254 | 0.95 | — | — | |
| Pyridine SCHEMBL27614389 | 0.89 | EHMT2 (0.54) | — | |
| Bicarbonate SCHEMBL16975005 | 0.87 | ALDH1A1 (0.53) | — | |
| Ethylene Glycol SCHEMBL5087076 | 0.87 | EHMT2 (0.52) | — | |
| SCHEMBL1768215 | 0.85 | EHMT2 (0.50) | — | |
| Ethylamine SCHEMBL18229942 | 0.83 | EHMT2 (0.48) | — | |
| Diphenylamine SCHEMBL7154055 | 0.83 | EHMT2 (0.48) | — | |
| Carbamic Acid SCHEMBL16975014 | 0.83 | ALDH1A1 (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 |
|---|---|---|---|---|---|---|---|
| WO-2001032623-A1 | AN ACTIVATED-THIOL POLYMER FOR DRUG DELIVERY | UNIVERSITY OF UTAH RESEARCH FOUNDATION (US) | 2001-05-10 | — | — | WO | disclosed |