⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8449083 | 1.00 | APLNR (0.32) | — | |
| SCHEMBL10935107 | 0.89 | EPHX1 (0.38) | — | |
| SCHEMBL17751222 | 0.83 | — | — | |
| SCHEMBL7345447 | 0.81 | EPHX1 (0.45) | — | |
| SCHEMBL16007530 | 0.81 | EPHX1 (0.45) | — | |
| SCHEMBL16384762 | 0.75 | — | — | |
| SCHEMBL15976843 | 0.75 | — | — | |
| SCHEMBL7814090 | 0.70 | — | — | |
| SCHEMBL1628239 | 0.69 | — | — | |
| SCHEMBL14724520 | 0.56 | — | — |
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 18 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3252050-A1 | PHTHALAZINONES AND ISOQUINOLINONES AS ROCK INHIBITORS | Bristol-Myers Squibb Company (US) | 2017-12-06 | — | — | EP | disclosed |
| EP-3019493-B1 | MODIFIED BET-PROTEIN INHIBITING DIHYDROCHINOXALINONES AND DIHYDROPYRIDOPYRAZINONES | Bayer Pharma AG (DE) | 2017-06-14 | — | — | EP | disclosed |
| EP-2346508-B1 | HETEROCYCLIC KINASE INHIBITORS | INTELLIKINE LLC (US) | 2016-08-24 | — | — | EP | disclosed |
| EP-2242742-B1 | PYRIDINE DERIVATIVES | NOVARTIS AG (CH) | 2015-12-02 | — | — | EP | disclosed |
| EP-1693364-B1 | INTERMEDIATES FOR THE PRODUCTION OF OPTICALLY ACTIVE CYCLOPROPYLAMINE DERIVATIVES AND PROCESS FOR THE PRODUCTION OF THE INTERMEDIATES | DAIICHI SANKYO CO LTD (JP) | 2015-05-20 | — | — | EP | disclosed |
| WO-2014096042-A1 | PROCESS FOR THE SYNTHESIS OF ENDOCYCLIC HYDRAZINES | ISOCHEM (FR) | 2014-06-26 | — | — | WO | disclosed |
| WO-2014086723-A1 | USE OF SUBSTITUTED 1-(ARYL ETHYNYL)-, 1-(HETEROARYL ETHYNYL)-, 1-(HETEROCYCLYL ETHYNYL)- AND 1-(CYLOALKENYL ETHYNYL)-BICYCLOALKANOLS AS ACTIVE AGENTS AGAINST ABIOTIC PLANT STRESS | BAYER CROPSCIENCE AG (DE) | 2014-06-12 | — | — | WO | disclosed |
| WO-2014086751-A1 | USE OF SUBSTITUTED 1-(ARYL ETHYNYL)-, 1-(HETEROARYL ETHYNYL)-, 1-(HETEROCYCLYL ETHYNYL)- AND 1-(CYLOALKENYL ETHYNYL)-CYCLOHEXANOLS AS ACTIVE AGENTS AGAINST ABIOTIC PLANT STRESS | BAYER CROPSCIENCE AG (DE) | 2014-06-12 | — | — | WO | disclosed |
| EP-2366704-B1 | Inhibitors of serine proteases | VERTEX PHARMA (US) | 2013-10-23 | — | — | EP | disclosed |
| EP-2631238-A1 | Spirocyclic inhibitors of serine proteases for the treatment of hcv infections | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2013-08-28 | — | — | EP | disclosed |
| EP-2399577-A1 | Use of N-containing spirocompounds for the enhancement of cognitive function | Adolor Corporation (US) | 2011-12-28 | — | — | EP | disclosed |
| US-20110182856-A1 | INHIBITORS OF SERINE PROTEASES | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2011-07-28 | — | — | US | disclosed |
| EP-2319532-A1 | Recombinant dengue virus containing a common 30 nucleotide deletion in the 3'-UTR of dengue types 3, or 4 | The Government of the United States of America, represented by The Secretary, Department of Health and Human Services (US) | 2011-05-11 | — | — | EP | disclosed |
| US-20110045008-A1 | THERAPEUTIC AGENTS FOR INDUCING PLATELET FRAGMENTATION AND TREATING THROMBOEMBOLIC DISORDERS | NEW YORK UNIVERSITY (US) | 2011-02-24 | — | — | US | disclosed |
| WO-2008033299-A2 | USE OF N-CONTAINING SPIROCOMPOUNDS FOR THE ENHANCEMENT OF COGNITIVE FUNCTION | ADOLOR CORPORATION (US) | 2008-03-20 | — | — | WO | disclosed |
| EP-1415987-B1 | NITROGENOUS AROMATIC RING COMPOUNDS AS ANTI CANCER AGENTS | EISAI R&D MAN CO LTD (JP) | 2007-02-28 | — | — | EP | disclosed |
| US-20070037206-A1 | Polypeptide of given sequence and antibodies that bind; gene expression; treatment of muscular dystrophy and cystic fibrosis | HUMAN GENOME SCIENCES, INC. | 2007-02-15 | — | — | US | disclosed |
| US-4955901-A | HYDROPHILIC SURFACE TREATMENT | CANON KABUSHIKI KAISHA (JP) | 1990-09-11 | — | — | US | disclosed |