⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1000830 | 0.71 | — | — | |
| SCHEMBL9717721 | 0.64 | — | — | |
| Tert-Butanol SCHEMBL8091978 | 0.61 | TSHR (0.37) | — | |
| SCHEMBL6970061 | 0.61 | — | — | |
| SCHEMBL27643349 | 0.59 | — | — | |
| Alcohol SCHEMBL461667 | 0.59 | — | — | |
| SCHEMBL4177702 | 0.59 | — | — | |
| SCHEMBL30981577 | 0.59 | — | — | |
| SCHEMBL23751845 | 0.58 | — | — | |
| SCHEMBL123229 | 0.57 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20040039129-A1 | Non-pressurized methods for the preparation of conjugrated solid supports for boronic acids | ALBERTA, UNIVERSITY OF (CA) | 2004-02-26 | — | — | US | disclosed |
| WO-2002014381-A2 | NON-PRESSURIZED METHODS FOR THE PREPARATION OF CONJUGATED SOLID SUPPORTS FOR BORONIC ACIDS | UNIVERSITY OF ALBERTA (CA) | 2002-02-21 | — | — | WO | disclosed |