⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL982334 | 0.82 | CYP1A1 (0.37) | — | |
| SCHEMBL8616369 | 0.76 | — | — | |
| SCHEMBL938230 | 0.76 | — | — | |
| SCHEMBL4262658 | 0.76 | — | — | |
| SCHEMBL29413219 | 0.76 | — | — | |
| SCHEMBL58195 | 0.73 | — | — | |
| SCHEMBL3470535 | 0.71 | — | — | |
| SCHEMBL3510212 | 0.71 | — | — | |
| SCHEMBL2714827 | 0.71 | — | — | |
| SCHEMBL16288839 | 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 38 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3022185-B1 | PESTICIDE COMPOUNDS | BASF SE (DE) | 2017-09-06 | — | — | EP | claimed |
| CN-115260250-B | Organic electroluminescent material and device | 北京八亿时空液晶科技股份有限公司 | 2024-12-10 | — | — | CN | disclosed |
| CN-115260250-A | Organic electroluminescent material and device | 北京八亿时空液晶科技股份有限公司 | 2022-11-01 | — | — | CN | disclosed |
| EP-3284738-B1 | 5-AROMATIC ALKYNYL SUBSTITUTED BENZAMIDE COMPOUND AND PREPARATION METHOD, PHARMACEUTICAL COMPOSITION, AND USE THEREOF | SHANGHAI INST MATERIA MEDICA CAS (CN) | 2020-11-25 | — | — | EP | disclosed |
| CN-107531633-B | 5-aromatic alkynyl substituted benzamide compound and preparation method, pharmaceutical composition and application thereof | 中国科学院上海药物研究所 | 2020-11-06 | — | — | CN | disclosed |
| CN-108329347-B | Method for preparing β -chloroalkenylphosphono derivatives | 苏州大学 | 2020-05-01 | — | — | CN | disclosed |
| US-10618900-B2 | 5-aromatic alkynyl substituted benzamide compound and preparation method, pharmaceutical composition, and use thereof | SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) | 2020-04-14 | — | — | US | disclosed |
| CN-108329347-A | A method of preparing β-chloro alkenyl phosphono analog derivative | 苏州大学 | 2018-07-27 | — | — | CN | disclosed |
| US-20180194767-A1 | 5-AROMATIC ALKYNYL SUBSTITUTED BENZAMIDE COMPOUND AND PREPARATION METHOD, PHARMACEUTICAL COMPOSITION, AND USE THEREOF | SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) | 2018-07-12 | — | — | US | disclosed |
| EP-3284738-A1 | 5-AROMATIC ALKYNYL SUBSTITUTED BENZAMIDE COMPOUND AND PREPARATION METHOD, PHARMACEUTICAL COMPOSITION, AND USE THEREOF | Shanghai Institute Of Materia Medica Chinese Academy of Sciences (CN) | 2018-02-21 | — | — | EP | disclosed |
| WO-2011101161-A1 | PYRAZOLE DERIVATIVES AS JAK INHIBITORS | ALMIRALL, S.A. (ES) | 2011-08-25 | — | — | WO | disclosed |
| WO-2011101161-A1 | PYRAZOLE DERIVATIVES AS JAK INHIBITORS | ALMIRALL, S.A. (ES) | 2011-08-25 | — | — | WO | disclosed |
| EP-2360158-A1 | Pyrazole derivatives as jak inhibitors | Almirall, S.A. (ES) | 2011-08-24 | — | — | EP | disclosed |
| EP-2360158-A1 | Pyrazole derivatives as jak inhibitors | Almirall, S.A. (ES) | 2011-08-24 | — | — | EP | disclosed |
| US-20100210629-A1 | 1,6-DIHYDRO-1,3,5,6-TETRAAZA-AS-INDACENE BASED TRICYCLIC COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS COMPRISING SAME | BRISTOL-MYERS SQUIBB COMPANY | 2010-08-19 | — | — | US | disclosed |
| US-7737279-B2 | 1,6-dihydro-1,3,5,6-tetraaza-as-indacene based tricyclic compounds and pharmaceutical compositions comprising same | BRISTOL-MYERS SQUIBB COMPANY (US) | 2010-06-15 | — | — | US | disclosed |
| EP-1888584-B1 | 1, 6 -DIHYDRO- 1,3, 5, 6-TETRAAZA-AS-INDACENE BASED TRICYCLIC COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS COMPRISING SAME AS INHIBITORS OF IKK ENZYME ACTIVITY | BRISTOL MYERS SQUIBB CO (US) | 2010-04-21 | — | — | EP | disclosed |
| EP-1888584-A1 | 1, 6 -DIHYDRO- 1,3, 5, 6-TETRAAZA-AS-INDACENE BASED TRICYCLIC COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS COMPRISING SAME AS INHIBITORS OF IKK ENZYME ACTIVITY | Brystol-Myers Squibb Company (US) | 2008-02-20 | — | — | EP | disclosed |
| US-20060270654-A1 | 1,6-Dihydro-1,3,5,6-Tetraaza-as-indacene based tricyclic compounds and pharmaceutical compositions comprising same | BRISTOL-MYERS SQUIBB COMPANY | 2006-11-30 | — | — | US | disclosed |
| WO-2006122137-A1 | 1, 6 -DIHYDRO- 1,3, 5, 6-TETRAAZA-AS-INDACENE BASED TRICYCLIC COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS COMPRISING SAME AS INHIBITORS OF IKK ENZYME ACTIVITY | BRISTOL-MYERS SQUIBB COMPANY (US) | 2006-11-16 | — | — | WO | disclosed |