⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3431098 | 0.88 | — | — | |
| SCHEMBL3429405 | 0.88 | — | — | |
| SCHEMBL3431189 | 0.87 | EPHX2 (0.44) | — | |
| SCHEMBL3426578 | 0.82 | — | — | |
| SCHEMBL3427369 | 0.82 | OPRL1 (0.38) | — | |
| SCHEMBL3431002 | 0.76 | INPP5A (0.42) | — | |
| SCHEMBL15670916 | 0.73 | CXCR4 (0.45) | — | |
| SCHEMBL14968151 | 0.73 | — | — | |
| SCHEMBL14968187 | 0.73 | CXCR4 (0.46) | — | |
| SCHEMBL10132045 | 0.71 | RAD52 (0.35) | — |
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 13 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2023143397-A1 | CYCLIC(ALKYL)(AMINO)ALKOXY-SUBSTITUTED ARYL-PYRONE COMPOUND AND USE THEREOF | 中国科学院上海药物研究所 | 2023-08-03 | — | — | WO | disclosed |
| EP-3784671-A1 | DUAL ATM AND DNA-PK INHIBITORS FOR USE IN ANTI-TUMOR THERAPY | XRad Therapeutics, Inc. (US) | 2021-03-03 | — | — | EP | disclosed |
| WO-2019201283-A1 | DUAL ATM AND DNA-PK INHIBITORS FOR USE IN ANTI-TUMOR THERAPY | XRAD THERAPEUTICS, INC. (US) | 2019-10-24 | — | — | WO | disclosed |
| EP-2780026-B1 | HCV NS3 PROTEASE INHIBITORS | MERCK SHARP & DOHME (US) | 2019-10-23 | — | — | EP | disclosed |
| US-9328138-B2 | HCV NS3 protease inhibitors | MSD ITALIA S.R.L. (IT) | 2016-05-03 | — | — | US | disclosed |
| US-20140296136-A1 | HCV NS3 PROTEASE INHIBITORS | MERCK SHARP & DOHME LLC | 2014-10-02 | — | — | US | disclosed |
| EP-2780026-A2 | HCV NS3 PROTEASE INHIBITORS | Merck Sharp & Dohme Corp. (US) | 2014-09-24 | — | — | EP | disclosed |
| WO-2013074386-A2 | HCV NS3 PROTEASE INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2013-05-23 | — | — | WO | disclosed |
| US-7691867-B2 | Chemical compounds | ASTRAZENECA AB (SE) | 2010-04-06 | — | — | US | disclosed |
| EP-1613619-B1 | QUINAZOLINE DERIVATIVES FOR TREATMENT OF CANCER | ASTRAZENECA AB (SE) | 2008-03-26 | — | — | EP | disclosed |
| US-20060270692-A1 | Chemical compounds | ASTRAZENECA AB (SE) | 2006-11-30 | — | — | US | disclosed |
| EP-1613619-A1 | QUINAZOLINE DERIVATIVES FOR TREATMENT OF CANCER | AstraZeneca AB (SE) | 2006-01-11 | — | — | EP | disclosed |
| WO-2004094410-A1 | CHEMICAL COMPOUNDS | ASTRAZENECA AB (SE) | 2004-11-04 | — | — | WO | disclosed |