⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL30058644 | 0.97 | — | — | |
| SCHEMBL51118 | 0.71 | — | — | |
| SCHEMBL14897991 | 0.67 | — | — | |
| SCHEMBL6423181 | 0.67 | — | — | |
| SCHEMBL12038664 | 0.67 | — | — | |
| SCHEMBL22265038 | 0.67 | — | — | |
| SCHEMBL4622061 | 0.67 | — | — | |
| SCHEMBL3825835 | 0.67 | — | — | |
| SCHEMBL8173680 | 0.67 | — | — | |
| SCHEMBL18943024 | 0.65 | — | — |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114746095-A | HCK as therapeutic target of MYD88 mutant disease | 达纳-法伯癌症研究所有限公司 | 2022-07-12 | — | — | CN | disclosed |
| CN-111848940-A | Polycarbonate polyol compositions and methods | 沙特阿美技术公司 | 2020-10-30 | — | — | CN | disclosed |
| CN-111825611-A | 4(1H) -quinovone derivatives and uses thereof | 中央研究院 | 2020-10-27 | — | — | CN | disclosed |
| CN-107266669-B | Polycarbonate polyol compositions and methods | 沙特阿美技术公司 | 2020-08-25 | — | — | CN | disclosed |
| EP-2619331-B1 | METHODS OF TREATING CANCER COMPRISING TARGETING NQO1 | UNIV TEXAS (US) | 2018-02-28 | — | — | EP | disclosed |
| EP-2619331-A1 | METHODS OF TREATING CANCER COMPRISING TARGETING NQO1 | The Board of Regents of The University of Texas System (US) | 2013-07-31 | — | — | EP | disclosed |
| WO-2012040513-A1 | COMPOSITIONS AND METHODS FOR THE DELIVERY OF BETA LAPACHONE | THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) | 2012-03-29 | — | — | WO | disclosed |
| WO-2012040492-A1 | METHODS OF TREATING CANCER COMPRISING TARGETING NQO1 | THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) | 2012-03-29 | — | — | WO | disclosed |
| US-7834112-B2 | Method of polymerization of olefins | BASELL POLYOLEFINE GMBH (DE) | 2010-11-16 | — | — | US | disclosed |
| US-20040249095-A1 | Method of polymerization of olefins | BASELL POLYOLEFINE GMBH (DE) | 2004-12-09 | — | — | US | disclosed |