⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4937606 | 0.90 | ALDH1A1 (0.39) | — | |
| SCHEMBL749954 | 0.82 | — | — | |
| SCHEMBL269512 | 0.80 | — | — | |
| SCHEMBL8611024 | 0.78 | — | — | |
| SCHEMBL27895299 | 0.77 | — | — | |
| SCHEMBL1723449 | 0.76 | — | — | |
| SCHEMBL7306560 | 0.76 | — | — | |
| SCHEMBL8711357 | 0.76 | — | — | |
| SCHEMBL8377789 | 0.76 | — | — | |
| SCHEMBL8377109 | 0.76 | — | — |
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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2430024-A1 | [1,2,4]TRIAZOLO [4,3-B]PYRIDAZINES AS LIGANDS OF THE ANDROGEN RECEPTOR | AstraZeneca AB (SE) | 2012-03-21 | — | — | EP | disclosed |
| WO-2010131022-A1 | [1,2,4] TRIAZOLO [4,3-B] PYRIDAZINES AS LIGANDS OF THE ANDROGEN RECEPTOR | ASTRAZENECA AB (SE) | 2010-11-18 | — | — | WO | disclosed |
| US-20100292222-A1 | CHEMICAL COMPOUNDS 751 | ASTRAZENECA AB (SE) | 2010-11-18 | — | — | US | 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 |
| 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 |
| 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 |
| EP-0714897-A1 | FUSED HETEROAROMATIC CYCLOPENTENE DERIVATIVE HAVING ENDOTHELIN-ANTAGONIST ACTIVITY | BANYU PHARMACEUTICAL CO., LTD. (JP) | 1996-06-05 | — | — | EP | disclosed |