⚠ 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 | |
|---|---|---|---|---|
| Ethylene Glycol SCHEMBL11369372 | 0.80 | TSHR (0.37) | — | |
| SCHEMBL37771 | 0.79 | — | — | |
| SCHEMBL4808033 | 0.75 | ALDH1A1 (0.33) | — | |
| SCHEMBL367694 | 0.73 | — | — | |
| SCHEMBL6274695 | 0.73 | — | — | |
| SCHEMBL1164293 | 0.73 | — | — | |
| SCHEMBL13354484 | 0.73 | ALDH1A1 (0.33) | — | |
| SCHEMBL1975737 | 0.71 | — | — | |
| SCHEMBL497732 | 0.71 | — | — | |
| SCHEMBL8551965 | 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-4250181-A | HYPOTENSIVE AGENTS, ANTIDEPRESSANTS | THE UPJOHN COMPANY (US) | 1981-02-10 | — | — | US | disclosed |