⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16656357 | 1.00 | — | — | |
| SCHEMBL16656370 | 1.00 | — | — | |
| SCHEMBL27628753 | 0.84 | ALDH1A1 (0.47) | — | |
| SCHEMBL8758074 | 0.81 | — | — | |
| SCHEMBL31584938 | 0.81 | ALDH1A1 (0.52) | — | |
| SCHEMBL10257157 | 0.81 | ALDH1A1 (0.52) | — | |
| SCHEMBL18929758 | 0.79 | ALDH1A1 (0.54) | — | |
| SCHEMBL335812 | 0.76 | AOC3 (0.41) | — | |
| SCHEMBL14326934 | 0.76 | AOC3 (0.45) | — | |
| SCHEMBL15745448 | 0.76 | ESR1 (0.42) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20170158614-A1 | AUTOMATED SYNTHESIS OF SMALL MOLECULES USING CHIRAL, NON-RACEMIC BORONATES | NATIONAL SCIENCE FOUNDATION | 2017-06-08 | — | — | US | disclosed |
| US-9388131-B2 | Automated synthesis of small molecules using chiral, non-racemic boronates | THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) | 2016-07-12 | — | — | US | disclosed |
| US-20150329567-A1 | Automated Synthesis of Small Molecules Using Chiral, Non-Racemic Boronates | THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS | 2015-11-19 | — | — | US | disclosed |
| US-9012658-B2 | Automated synthesis of small molecules using chiral, non-racemic boronates | THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) | 2015-04-21 | — | — | US | disclosed |