⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL614606 | 1.00 | — | — | |
| SCHEMBL4929816 | 1.00 | — | — | |
| SCHEMBL66883 | 0.79 | — | — | |
| SCHEMBL13154417 | 0.74 | — | — | |
| SCHEMBL13476630 | 0.72 | — | — | |
| SCHEMBL148912 | 0.72 | — | — | |
| SCHEMBL15131263 | 0.72 | — | — | |
| SCHEMBL11823906 | 0.72 | ALDH1A1 (0.39) | — | |
| SCHEMBL11813569 | 0.72 | — | — | |
| SCHEMBL12590720 | 0.69 | — | — |
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 57 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3325480-B1 | 5-SUBSTITUTED-7-[4-(SUBSTITUTED) BENZYL]AMINO-3-ISOPROPYLPYRAZOLO (4,3-D) PYRIMIDINES AS MEDICAMENTS | USTAV EXPERIMENTALNI BOTANIKY AV CR V V I (CZ) | 2020-04-22 | — | — | EP | claimed |
| EP-3441392-B1 | A PHARMACEUTICAL COMPOSITION FOR ORAL ADMINISTRATION | INTELLIKINE LLC (US) | 2021-12-15 | — | — | EP | disclosed |
| EP-3811974-A1 | TREATMENT OF CANCERS USING PI3 KINASE ISOFORM MODULATORS | Infinity Pharmaceuticals, Inc. (US) | 2021-04-28 | — | — | EP | disclosed |
| EP-3441392-A1 | A PHARMACEUTICAL COMPOSITION FOR ORAL ADMINISTRATION | Intellikine, LLC (US) | 2019-02-13 | — | — | EP | disclosed |
| US-20170360795-A1 | TREATMENT OF CANCERS USING PI3 KINASE ISOFORM MODULATORS | INFINITY PHARMACEUTICALS, INC. (US) | 2017-12-21 | — | — | US | disclosed |
| US-9822131-B2 | Certain chemical entities, compositions and methods | INTELLIKINE LLC (US) | 2017-11-21 | — | — | US | disclosed |
| US-9790228-B2 | Heterocyclic kinase inhibitors | INTELLIKINE LLC (US) | 2017-10-17 | — | — | US | disclosed |
| EP-2240451-B1 | Isoquinolinone derivatives substituted with a purine useful as PI3K inhibitors | INTELLIKINE LLC (US) | 2017-08-09 | — | — | EP | disclosed |
| US-9655892-B2 | Certain chemical entities, compositions and methods | INTELLIKINE LLC (US) | 2017-05-23 | — | — | US | disclosed |
| EP-3150609-A1 | PROCESS FOR PREPARING CERTAIN CHEMICAL ENTITIES | Intellikine, LLC (US) | 2017-04-05 | — | — | EP | disclosed |
| US-20100137597-A1 | SYNTHESIS Of DIETHYLPHOSPHONATE | SCHERING CORPORATION | 2010-06-03 | — | — | US | disclosed |
| US-7687631-B2 | Synthesis of diethyl{[5-(3-fluorophenyl)-pyridine-2yl]methyl}phosphonate | SCHERING CORPORATION (US) | 2010-03-30 | — | — | US | disclosed |
| US-7678948-B2 | Synthesis of 3-(5-nitrocyclohex-1-enyl) acrylic acid and esters thereof | SCHERING CORPORATION (US) | 2010-03-16 | — | — | US | disclosed |
| US-20090281321-A1 | EXO- AND DIASTEREO- SELECTIVE SYNTHESES OF HIMBACINE ANALOGS | SCHERING CORPORATION | 2009-11-12 | — | — | US | disclosed |
| US-7605275-B2 | Cyclization of 1-(1-(diphenylaminocarbonyl-vinyl-)ethyl-oxycarbonyl-vinyl-),5-nitro-)cyclohex-1-ene by heating in a solvent to form an trans-(5,6)ring junction and an endoisomer(cis) isomer of 3-(oxo),6-(nitro),9-diphenylamido-perhydro-4,4a-didehydronaphtho(2,3)furan | SCHERING CORPORATION (US) | 2009-10-20 | — | — | US | disclosed |
| US-20090203936-A1 | SYNTHESIS OF 3-(5-NITROCYCLOHEX-1-ENYL) ACRYLIC ACID AND ESTERS THEREOF | SCHERING CORPORATION | 2009-08-13 | — | — | US | disclosed |
| US-7553987-B2 | Synthesis of 3-(5-nitrocyclohex-1-enyl) acrylic acid and esters thereof | SCHERING CORPORATION (US) | 2009-06-30 | — | — | US | disclosed |
| US-20080009651-A1 | Synthesis of 3-(5-nitrocyclohex-1-enyl) acrylic acid and esters thereof | MERCK SHARP & DOHME CORP. | 2008-01-10 | — | — | US | disclosed |
| US-20080004449-A1 | Synthesis of diethyl{[5-(3-fluorophenyl)-pyridine-2yl]methyl}phosphonate | TOPROL ACQUISITION LLC | 2008-01-03 | — | — | US | disclosed |
| US-20040152736-A1 | Thrombin receptor antagonists | TOPROL ACQUISITION LLC | 2004-08-05 | — | — | US | disclosed |