⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2635077 | 0.86 | TSHR (0.50) | — | |
| SCHEMBL4069901 | 0.86 | TSHR (0.50) | — | |
| SCHEMBL3486633 | 0.84 | FFAR4 (0.52) | — | |
| SCHEMBL1085914 | 0.84 | TSHR (0.48) | — | |
| SCHEMBL3459186 | 0.84 | TSHR (0.48) | — | |
| SCHEMBL3458306 | 0.83 | ALDH1A1 (0.38) | — | |
| SCHEMBL7913952 | 0.82 | FFAR4 (0.55) | — | |
| SCHEMBL6514004 | 0.82 | FFAR4 (0.55) | — | |
| SCHEMBL8687254 | 0.82 | FFAR4 (0.55) | — | |
| SCHEMBL28345168 | 0.82 | FFAR4 (0.55) | — |
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 17 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101969920-B | Parakeratosis inhibitor, pore shrinking agent or agent for preventing or improving rough skin, and composition for external use on the skin containing the same | SHISEIDO CO LTD | 2013-09-18 | — | — | CN | disclosed |
| CN-101969920-A | Parakeratosis inhibitor, pore shrinking agent or agent for preventing or improving rough skin, and composition for external use on the skin containing the same | SHISEIDO CO LTD | 2011-02-09 | — | — | CN | disclosed |
| EP-1231199-B1 | Process for the condensation of aldehydes with ketones by multiphase reaction | OXENO OLEFINCHEMIE GMBH (DE) | 2005-07-20 | — | — | EP | disclosed |
| EP-0906108-B1 | ENDOTHELIN ANTAGONISTS FOR TREATING HEART FAILURE | BANYU PHARMA CO LTD (JP) | 2005-06-15 | — | — | EP | disclosed |
| EP-1231199-A1 | Process for the condensation of aldehydes with ketones by multiphase reaction | Oxeno Olefinchemie GmbH (DE) | 2002-08-14 | — | — | EP | disclosed |
| US-6380195-B1 | INCLUDING (METHYLENEDIOXYPHENYL)CYCLOPENTENO(1,2-B)PYRIDINE DERIVATIVES | BANYU PHARMACEUTICAL CO., LTD. (JP) | 2002-04-30 | — | — | 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-6087360-A | TREATING PATIENTS WITH ENDOTHELIN RELATED DISORDERS | BANYU PHARMACEUTICAL CO., LTD. (JP) | 2000-07-11 | — | — | US | disclosed |
| CN-1049219-C | Fused heteroaromatic cyclopentene derivative having endothelin-antagonist activity | BANYU PHARMA CO LTD (JP) | 2000-02-09 | — | — | CN | disclosed |
| CN-1215335-A | Method fo treating heart failure with endothelin antagonists | BANYU PHARMA CO LTD (JP) | 1999-04-28 | — | — | CN | disclosed |
| EP-0906108-A1 | METHOD OF TREATING HEART FAILURE WITH ENDOTHELIN ANTAGONISTS | BANYU PHARMACEUTICAL CO., LTD. (JP) | 1999-04-07 | — | — | EP | disclosed |
| US-5834483-A | Method of treating heart failure with endothelin antagonists | MERCK & CO., INC. (US) | 1998-11-10 | — | — | US | 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 |
| CN-1129448-A | Fused heteroaromatic cyclopentene derivative having endothelin-antagonist activity | BANYU PHARMA CO LTD (JP) | 1996-08-21 | — | — | CN | disclosed |
| EP-0714897-A1 | FUSED HETEROAROMATIC CYCLOPENTENE DERIVATIVE HAVING ENDOTHELIN-ANTAGONIST ACTIVITY | BANYU PHARMACEUTICAL CO., LTD. (JP) | 1996-06-05 | — | — | EP | disclosed |