⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6379373 | 0.82 | TSHR (0.37) | — | |
| SCHEMBL28015040 | 0.82 | TSHR (0.37) | — | |
| SCHEMBL6384305 | 0.80 | ALDH1A1 (0.40) | — | |
| SCHEMBL3520735 | 0.79 | — | — | |
| SCHEMBL22557813 | 0.79 | — | — | |
| SCHEMBL3127249 | 0.79 | CYP2C19 (0.35) | — | |
| SCHEMBL964761 | 0.79 | — | — | |
| SCHEMBL6382808 | 0.79 | GPR84 (0.44) | — | |
| SCHEMBL10525917 | 0.77 | TDP1 (0.48) | — | |
| SCHEMBL12616532 | 0.77 | TSHR (0.37) | — |
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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2604260-B1 | NOVEL HETEROCYCLIC DERIVATIVES AND PHARMACEUTICAL COMPOSITION CONTAINING SAME | SHIONOGI & CO (JP) | 2017-05-10 | — | — | EP | disclosed |
| US-20160052892-A1 | NOVEL HETEROCYCLIC DERIVATIVE AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME (AS AMENDED) | SHIONOGI & CO (JP) | 2016-02-25 | — | — | US | disclosed |
| US-9212130-B2 | Heterocyclic derivative and pharmaceutical composition comprising the same | SHIONOGI & CO., LTD. (JP) | 2015-12-15 | — | — | US | disclosed |
| US-20130225596-A1 | NOVEL HETEROCYCLIC DERIVATIVE AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME (AS AMENDED) | SHIONOGI & CO., LTD. (JP) | 2013-08-29 | — | — | US | disclosed |
| EP-2604260-A1 | NOVEL HETEROCYCLIC DERIVATIVES AND PHARMACEUTICAL COMPOSITION CONTAINING SAME | Shionogi&Co., Ltd. (JP) | 2013-06-19 | — | — | EP | disclosed |
| EP-0906108-B1 | ENDOTHELIN ANTAGONISTS FOR TREATING HEART FAILURE | BANYU PHARMA CO LTD (JP) | 2005-06-15 | — | — | EP | disclosed |
| US-6380195-B1 | INCLUDING (METHYLENEDIOXYPHENYL)CYCLOPENTENO(1,2-B)PYRIDINE DERIVATIVES | BANYU PHARMACEUTICAL CO., LTD. (JP) | 2002-04-30 | — | — | US | disclosed |
| US-6288061-B1 | INTERLEUKIN INHIBITORS; ASTHMA, BRONCHODILATOR AGENTS, ANTIALLERGENS | WELFIDE CORPORATION (JP) | 2001-09-11 | — | — | US | disclosed |
| EP-0714897-B1 | FUSED HETEROAROMATIC CYCLOPENTENE DERIVATIVE HAVING ENDOTHELIN-ANTAGONIST ACTIVITY | BANYU PHARMA CO LTD (JP) | 2001-02-14 | — | — | EP | disclosed |
| EP-0906108-A4 | METHOD OF TREATING HEART FAILURE WITH ENDOTHELIN ANTAGONISTS | BANYU PHARMA CO LTD (JP) | 2000-12-06 | — | — | EP | disclosed |
| US-5714479-A | TREATMENT OF HYPERTENSION, ACUTE RENAL FAILURE, ANGINA PECTORIS, ARTERIOSCLEROSIS, ASTHMA, GASTRIC ULCER AND SIMILAR AILMENTS | BANYU PHARMACEUTICAL CO., LTD. (JP) | 1998-02-03 | — | — | US | disclosed |
| WO-1997037665-A1 | METHOD OF TREATING HEART FAILURE WITH ENDOTHELIN ANTAGONISTS | BANYU PHARMACEUTICAL CO., LTD. (JP) | 1997-10-16 | — | — | WO | disclosed |
| EP-0465254-B1 | Fused thiophene compounds and uses thereof | YOSHITOMI PHARMACEUTICAL (JP) | 1996-11-13 | — | — | EP | disclosed |
| EP-0714897-A1 | FUSED HETEROAROMATIC CYCLOPENTENE DERIVATIVE HAVING ENDOTHELIN-ANTAGONIST ACTIVITY | BANYU PHARMACEUTICAL CO., LTD. (JP) | 1996-06-05 | — | — | EP | disclosed |
| EP-0601184-A1 | FUSED PYRIDAZINE COMPOUND AND PHARMACEUTICAL USE THEREOF | YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) | 1994-06-15 | — | — | EP | disclosed |
| EP-0596125-A1 | CONDENSED THIOPHENE COMPOUND AND PHARMACEUTICAL USE THEREOF | YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) | 1994-05-11 | — | — | EP | disclosed |
| US-5141930-A | Antianxietic drug, antipsychotics and cardiotonic agents | YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) | 1992-08-25 | — | — | US | disclosed |
| EP-0465254-A1 | Fused thiophene compounds and uses thereof | YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) | 1992-01-08 | — | — | EP | disclosed |
| US-4365065-A | 1-(Pyridinyl)-2-(dimethylamino)ethenyl lower-alkyl ketones | STERLING DRUG INC. (US) | 1982-12-21 | — | — | US | disclosed |
| US-4313951-A | 3-Substituted-6-(lower-alkyl)-5-(pyridinyl)-2(1H)-pyridinones, their cardiotonic use and intermediates therefor | STERLING DRUG INC. (US) | 1982-02-02 | — | — | US | disclosed |