⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18627012 | 1.00 | — | — | |
| SCHEMBL18639302 | 1.00 | — | — | |
| SCHEMBL18609576 | 1.00 | — | — | |
| SCHEMBL7998158 | 1.00 | — | — | |
| SCHEMBL15318657 | 1.00 | — | — | |
| SCHEMBL13294888 | 1.00 | — | — | |
| SCHEMBL18639301 | 1.00 | — | — | |
| SCHEMBL16660244 | 1.00 | — | — | |
| SCHEMBL17036069 | 1.00 | — | — | |
| SCHEMBL5683205 | 1.00 | — | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2018189157-A1 | METHODS FOR PREPARING A BORONIC ACID OR A BORONIC ESTER | THE UNIVERSITY OF BRISTOL (GB) | 2018-10-18 | — | — | WO | disclosed |
| EP-2970312-B1 | BET BROMODOMAIN INHIBITORS AND THERAPEUTIC METHODS USING THE SAME | UNIV MICHIGAN REGENTS (US) | 2017-11-15 | — | — | EP | disclosed |
| US-9296701-B2 | DNA-PK inhibitors | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2016-03-29 | — | — | US | disclosed |
| WO-2014164596-A1 | BET BROMODOMAIN INHIBITORS AND THERAPEUTIC METHODS USING THE SAME | THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) | 2014-10-09 | — | — | WO | disclosed |
| US-20140045869-A1 | DNA-PK INHIBITORS | VERTEX PHARMACEUTICALS INCORPORATED | 2014-02-13 | — | — | US | disclosed |
| US-20130281431-A1 | DNA-PK INHIBITORS | VERTEX PHARMACEUTICALS INCORPORATED | 2013-10-24 | — | — | US | disclosed |
| WO-2010008847-A2 | PI3K/M TOR INHIBITORS | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2010-01-21 | — | — | WO | disclosed |