⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL911009 | 1.00 | — | — | |
| SCHEMBL7295559 | 0.95 | TSHR (0.43) | — | |
| SCHEMBL6726226 | 0.84 | — | — | |
| SCHEMBL7641265 | 0.81 | — | — | |
| SCHEMBL7350161 | 0.78 | — | — | |
| SCHEMBL752055 | 0.75 | — | — | |
| SCHEMBL9502825 | 0.75 | — | — | |
| SCHEMBL8162817 | 0.75 | — | — | |
| SCHEMBL4481295 | 0.75 | — | — | |
| SCHEMBL7361160 | 0.75 | — | — |
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-20070197788-A1 | METHOD FOR THE PREPARATION OF ENANTIOMER FORMS OF CIS-CONFIGURED 3-HYDROXYCYCLOHEXANE CARBOXYLIC ACID DERIVATIVES USING HYDROLASES | SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) | 2007-08-23 | — | — | US | disclosed |