⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7493066 | 0.84 | HIF1A (0.39) | — | |
| SCHEMBL1258486 | 0.81 | HIF1A (0.44) | — | |
| SCHEMBL14335170 | 0.80 | TSHR (0.46) | — | |
| SCHEMBL5789575 | 0.80 | NPC1 (0.33) | — | |
| SCHEMBL9187489 | 0.79 | — | — | |
| SCHEMBL14334179 | 0.79 | MAPT (0.33) | — | |
| SCHEMBL9252984 | 0.76 | NPC1 (0.30) | — | |
| SCHEMBL6624150 | 0.76 | NPC1 (0.31) | — | |
| SCHEMBL14333827 | 0.76 | HCAR2 (0.34) | — | |
| SCHEMBL5199832 | 0.74 | KDM4E (0.45) | — |
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 41 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105431416-B | 4- alkynyl imdazole derivatives and contain its drug as effective component | 科研制药株式会社 | 2019-01-08 | — | — | CN | disclosed |
| EP-3009426-B1 | 4-ALKYNYL IMIDAZOLE DERIVATIVE AND MEDICINE COMPRISING SAME AS ACTIVE INGREDIENT | KAKEN PHARMA CO LTD (JP) | 2018-05-02 | — | — | EP | disclosed |
| EP-3009426-B1 | 4-ALKYNYL IMIDAZOLE DERIVATIVE AND MEDICINE COMPRISING SAME AS ACTIVE INGREDIENT | KAKEN PHARMA CO LTD (JP) | 2018-05-02 | — | — | EP | disclosed |
| US-9855257-B2 | 4-alkynyl imidazole derivative and medicine comprising same as active ingredient | KAKEN PHARMACEUTICAL CO., LTD. (JP) | 2018-01-02 | — | — | US | disclosed |
| US-9855257-B2 | 4-alkynyl imidazole derivative and medicine comprising same as active ingredient | KAKEN PHARMACEUTICAL CO., LTD. (JP) | 2018-01-02 | — | — | US | disclosed |
| US-20170128431-A1 | 4-ALKYNYL IMIDAZOLE DERIVATIVE AND MEDICINE COMPRISING SAME AS ACTIVE INGREDIENT | KAKEN PHARMACEUTICAL CO., LTD. (JP) | 2017-05-11 | — | — | US | disclosed |
| US-20170128431-A1 | 4-ALKYNYL IMIDAZOLE DERIVATIVE AND MEDICINE COMPRISING SAME AS ACTIVE INGREDIENT | KAKEN PHARMACEUTICAL CO., LTD. (JP) | 2017-05-11 | — | — | US | disclosed |
| US-20170128431-A1 | 4-ALKYNYL IMIDAZOLE DERIVATIVE AND MEDICINE COMPRISING SAME AS ACTIVE INGREDIENT | KAKEN PHARMACEUTICAL CO., LTD. (JP) | 2017-05-11 | — | — | US | disclosed |
| US-9593081-B2 | 4-alkynyl imidazole derivative and medicine comprising same as active ingredient | KAKEN PHARMACEUTICAL CO., LTD. (JP) | 2017-03-14 | — | — | US | disclosed |
| US-9593081-B2 | 4-alkynyl imidazole derivative and medicine comprising same as active ingredient | KAKEN PHARMACEUTICAL CO., LTD. (JP) | 2017-03-14 | — | — | US | disclosed |
| EP-1790636-A1 | PIPERIDINE DERIVATIVES AND USE THEREOF | Takeda Pharmaceutical Company Limited (JP) | 2007-05-30 | — | — | EP | disclosed |
| US-7214802-B2 | Anti-cytokine heterocyclic compounds | BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) | 2007-05-08 | — | — | US | disclosed |
| US-7214802-B2 | Anti-cytokine heterocyclic compounds | BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) | 2007-05-08 | — | — | US | disclosed |
| US-7214802-B2 | Anti-cytokine heterocyclic compounds | BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) | 2007-05-08 | — | — | US | disclosed |
| EP-1725544-A1 | 3-[4-HETEROCYCLYL-1,2,3-TRIAZOL-1-YL]-N-ARYL-BENZAMIDES AS INHIBITORS OF THE CYTOKINES PRODUCTION FOR THE TREATMENT OF CHRONIC INFLAMMATORY DISEASES | BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) | 2006-11-29 | — | — | EP | disclosed |
| US-20060142337-A1 | Piperidine derivative and use thereof | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2006-06-29 | — | — | US | disclosed |
| US-20060079519-A1 | Anti-cytokine heterocyclic compounds | BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) | 2006-04-13 | — | — | US | disclosed |
| US-20050239841-A1 | New compounds | BIOVITRUM AB (SE) | 2005-10-27 | — | — | US | disclosed |
| WO-2005090333-A1 | 3-‘4-HETEROCYCLYL -1,2,3,-TRIAZOL-1-YL!-N-ARYL-BENZAMIDES AS INHIBITORS OF THE CYTOKINES PRODUCTION FOR THE TREATMENT OF CHRONIC INFLAMMATORY DISEASES | BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) | 2005-09-29 | — | — | WO | disclosed |
| WO-2005051381-A1 | Substituted urea-octatydroindols as antagonists of melanin concentrating hormone receptor 1 (MCH1R) | BIOVITRUM AB (SE) | 2005-06-09 | — | — | WO | disclosed |