⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9445757 | 1.00 | — | — | |
| SCHEMBL1782987 | 0.77 | — | — | |
| SCHEMBL13965526 | 0.76 | — | — | |
| SCHEMBL13479970 | 0.76 | — | — | |
| SCHEMBL9445815 | 0.75 | — | — | |
| SCHEMBL13090887 | 0.74 | L3MBTL1 (0.37) | — | |
| SCHEMBL12083655 | 0.74 | L3MBTL1 (0.37) | — | |
| SCHEMBL12085810 | 0.71 | TRPA1 (0.33) | — | |
| SCHEMBL12654741 | 0.70 | — | — | |
| SCHEMBL12234232 | 0.69 | TRPA1 (0.32) | — |
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 15 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20190241822-A1 | COMPOSITION FOR REMOVING IRON SULFIDE | KURARAY CO., LTD. (JP) | 2019-08-08 | — | — | US | disclosed |
| EP-3486353-A1 | COMPOSITION FOR REMOVING IRON SULFIDE | Kuraray Co., Ltd. (JP) | 2019-05-22 | — | — | EP | disclosed |
| CN-103535678-B | The purposes and fragrance and/or flavor substance composition for the reagent that the cyclonene limited strengthens as olfactory impression superadditivity | 西姆莱斯有限公司 | 2018-03-02 | — | — | CN | disclosed |
| CN-103535678-A | Use of defined cyclohexenones as agents for the superadditive enhancement of an olfactory impression and fragrance and/or flavor material composition | SYMRISE AG | 2014-01-29 | — | — | CN | disclosed |
| US-8632792-B2 | Cooling sensation agent composition and sensory stimulation agent composition | TAKASAGO INTERNATIONAL CORPORATION (JP) | 2014-01-21 | — | — | US | disclosed |
| US-20120296093-A1 | EXO- AND DIASTEREO- SELECTIVE SYNTHESIS OF HIMBACINE ANALOGS | TOPROL ACQUISITION LLC | 2012-11-22 | — | — | US | disclosed |
| US-20110251392-A1 | EXO- AND DIASTEREO- SELECTIVE SYNTHESIS OF HIMBACINE ANALOGS | TOPROL ACQUISITION LLC | 2011-10-13 | — | — | US | disclosed |
| US-7989653-B2 | Exo- and diastereo-selective syntheses of himbacine analogs | SCHERING CORPORATION (US) | 2011-08-02 | — | — | US | disclosed |
| US-20110117147-A1 | COOLING SENSATION AGENT COMPOSITION AND SENSORY STIMULATION AGENT COMPOSITION | TAKASAGO INTERNATIONAL CORPORATION (JP) | 2011-05-19 | — | — | US | disclosed |
| WO-2011058766-A1 | ARYL CARBOXAMIDE DERIVATIVES AS TTX-S BLOCKERS | RAQUALIA PHARMA INC. (JP) | 2011-05-19 | — | — | WO | disclosed |
| US-20090281321-A1 | EXO- AND DIASTEREO- SELECTIVE SYNTHESES OF HIMBACINE ANALOGS | SCHERING CORPORATION | 2009-11-12 | — | — | US | disclosed |
| WO-2009123355-A2 | COOLING SENSATION AGENT COMPOSITION AND SENSORY STIMULATION AGENT COMPOSITION | TAKASAGO INTERNATIONAL CORPORATION (JP) | 2009-10-08 | — | — | WO | disclosed |
| US-5216175-A | Polyoxoheterocyclic tetracylic derivatives | SRI INTERNATIONAL (US) | 1993-06-01 | — | — | US | disclosed |
| EP-0479970-A1 | ANTIMALARIAL ANALOGS OF ARTEMISININ | SRI INTERNATIONAL (US) | 1992-04-15 | — | — | EP | disclosed |
| WO-1991014689-A1 | ANTIMALARIAL ANALOGS OF ARTEMISININ | SRI INTERNATIONAL (US) | 1991-10-03 | — | — | WO | disclosed |