⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL597830 | 1.00 | — | — | |
| SCHEMBL9625110 | 1.00 | — | — | |
| SCHEMBL1056434 | 0.72 | — | — | |
| SCHEMBL10583341 | 0.69 | — | — | |
| Methyl Alcohol SCHEMBL17200863 | 0.69 | — | — | |
| SCHEMBL2037600 | 0.67 | — | — | |
| SCHEMBL9812126 | 0.67 | — | — | |
| SCHEMBL2005262 | 0.67 | — | — | |
| SCHEMBL1089787 | 0.67 | — | — | |
| SCHEMBL165724 | 0.67 | — | — |
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-5726344-A | Enantiomeric enrichment of bicyclic alcohols | BEND RESEARCH, INC. (US) | 1998-03-10 | — | — | US | disclosed |