⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3986042 | 1.00 | — | — | |
| SCHEMBL28137861 | 0.78 | — | — | |
| SCHEMBL5598957 | 0.78 | CYP1A2 (0.36) | — | |
| SCHEMBL408424 | 0.73 | — | — | |
| SCHEMBL17186622 | 0.73 | — | — | |
| SCHEMBL6663266 | 0.73 | — | — | |
| SCHEMBL239930 | 0.73 | — | — | |
| SCHEMBL11779745 | 0.73 | ALDH1A1 (0.42) | — | |
| SCHEMBL11130993 | 0.72 | ALDH1A1 (0.32) | — | |
| SCHEMBL24543318 | 0.71 | — | — |
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 33 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2024099168-A1 | 2,4,5-TRISUBSTITUTED PYRIMIDINE COMPOUND, PREPARATION METHOD THEREFOR, AND USE THEREOF | 温州医科大学 | 2024-05-16 | — | — | WO | claimed |
| CN-115894381-A | 2,4,5-trisubstituted pyrimidine compound and preparation method and application thereof | 温州医科大学 | 2023-04-04 | — | — | CN | claimed |
| CN-1217943-C | New use and novel N-azabicyclo-amide derivatives | ASTRAZENECA AB (SE) | 2005-09-07 | — | — | CN | claimed |
| CN-1455663-A | Novel aerosol formulation containing polar fluorinated molecule | ASTRAZENECA AB (SE) | 2003-11-12 | — | — | CN | claimed |
| US-20030194378-A1 | Novel aerosol formulation containing a polar fluorinated molecule | ASTRAZENECA AB (SE) | 2003-10-16 | — | — | US | claimed |
| CN-1423651-A | Novel use and novel N-azabicyclo-amide derivatives | ASTRAZENECA AB (SE) | 2003-06-11 | — | — | CN | claimed |
| WO-1999006378-A1 | IRREVERSIBLE INHIBITORS OF TYROSINE KINASES | WARNER-LAMBERT COMPANY (US) | 1999-02-11 | — | — | WO | claimed |
| WO-2023198180-A1 | EGFR DEGRADATION AGENT | 北京泰德制药股份有限公司 | 2023-10-19 | — | — | WO | disclosed |
| CN-115894381-A | 2,4,5-trisubstituted pyrimidine compound and preparation method and application thereof | 温州医科大学 | 2023-04-04 | — | — | CN | disclosed |
| CN-114656407-A | Method for preparing saflufenacil intermediate | 帕潘纳(北京)科技有限公司 | 2022-06-24 | — | — | CN | disclosed |
| WO-2020082671-A1 | ACRYLAMIDE NANO COATING AND PREPARATION METHOD THEREFOR | 江苏菲沃泰纳米科技有限公司 | 2020-04-30 | — | — | WO | disclosed |
| US-9040268-B2 | Method for controlling undesirable byproducts formation caused by contaminating organisms in the production of ethanol from syngas | COSKATA, INC. (US) | 2015-05-26 | — | — | US | disclosed |
| EP-2758540-A1 | METHOD FOR CONTROLLING UNDESIRABLE BYPRODUCTS FORMATION CAUSED BY CONTAMINATING ORGANISMS IN THE PRODUCTION OF ETHANOL FROM SYNGAS | Coskata Energy Inc. (US) | 2014-07-30 | — | — | EP | disclosed |
| US-20030153507-A1 | HIV protease inhibitors, compositions containing the same, their pharmaceutical uses and materials for their synthesis | AGOURON PHARMACEUTICALS, INC. | 2003-08-14 | — | — | US | disclosed |
| CN-1423651-A | Novel use and novel N-azabicyclo-amide derivatives | ASTRAZENECA AB (SE) | 2003-06-11 | — | — | CN | disclosed |
| EP-1303258-A1 | NOVEL AEROSOL FORMULATION CONTAINING A POLAR FLUORINATED MOLECULE | AstraZeneca AB (SE) | 2003-04-23 | — | — | EP | disclosed |
| WO-2002100845-A1 | HV PROTEASE INHIBITORS, COMPOSITIONS CONTAINING THE SAME, THEIR PHARMACEUTICAL USES AND MATERIALS FOR THEIR SYNTHESIS | AGOURON PHARMACEUTICALS, INC. (US) | 2002-12-19 | — | — | WO | disclosed |
| WO-2002003958-A1 | NOVEL AEROSOL FORMULATION CONTAINING A POLAR FLUORINATED MOLECULE | ASTRAZENECA AB (SE) | 2002-01-17 | — | — | WO | disclosed |
| EP-0892789-A1 | IRREVERSIBLE INHIBITORS OF TYROSINE KINASES | WARNER-LAMBERT COMPANY (US) | 1999-01-27 | — | — | EP | disclosed |
| WO-1997038983-A1 | IRREVERSIBLE INHIBITORS OF TYROSINE KINASES | WARNER-LAMBERT COMPANY (US) | 1997-10-23 | — | — | WO | disclosed |