⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL92017 | 1.00 | — | — | |
| SCHEMBL14303702 | 1.00 | — | — | |
| SCHEMBL14394650 | 1.00 | — | — | |
| SCHEMBL1658331 | 0.94 | TSHR (0.50) | — | |
| SCHEMBL5799092 | 0.94 | TSHR (0.50) | — | |
| SCHEMBL810642 | 0.94 | TSHR (0.50) | — | |
| SCHEMBL1657186 | 0.85 | TSHR (0.47) | — | |
| SCHEMBL5907063 | 0.82 | TSHR (0.47) | — | |
| SCHEMBL11760330 | 0.81 | TSHR (0.43) | — | |
| SCHEMBL4889381 | 0.80 | TSHR (0.47) | — |
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-10370393-B2 | Stereoretentive cross-coupling of boronic acids | THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) | 2019-08-06 | — | — | US | disclosed |
| US-20180305381-A1 | STEREORETENTIVE CROSS-COUPLING OF BORONIC ACIDS | THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) | 2018-10-25 | — | — | US | disclosed |