⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL31252624 | 0.67 | — | — | |
| SCHEMBL31344348 | 0.57 | — | — | |
| SCHEMBL24197652 | 0.54 | ESR2 (0.50) | — | |
| SCHEMBL12474190 | 0.54 | — | — | |
| Ethylene Glycol SCHEMBL3 | 0.50 | — | — | |
| Ethylene Glycol SCHEMBL2635018 | 0.50 | TSHR (1.00) | — | |
| Ethylene Glycol SCHEMBL8013339 | 0.50 | TSHR (1.00) | — | |
| Ethylene Glycol SCHEMBL1332716 | 0.50 | — | — | |
| Ethylene Glycol SCHEMBL49878 | 0.50 | — | — | |
| Ethylene Glycol SCHEMBL11297158 | 0.50 | TSHR (1.00) | — |
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-20090131317-A1 | COMPOUNDS AND PEPTIDES THAT BIND THE TRAIL RECEPTOR | AFFYMAX, INC. (US) | 2009-05-21 | — | — | US | disclosed |