⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8087784 | 1.00 | — | — | |
| SCHEMBL251429 | 0.91 | — | — | |
| SCHEMBL9348 | 0.78 | — | — | |
| SCHEMBL6539313 | 0.71 | — | — | |
| SCHEMBL8089335 | 0.69 | — | — | |
| SCHEMBL9512110 | 0.69 | ALDH1A1 (0.32) | — | |
| Cyclohexene SCHEMBL8167620 | 0.69 | ALDH1A1 (0.32) | — | |
| SCHEMBL9780488 | 0.69 | ALDH1A1 (0.32) | — | |
| Cyclohexene SCHEMBL3005 | 0.69 | — | — | |
| SCHEMBL18687055 | 0.69 | ALDH1A1 (0.32) | — |
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 15 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0555537-B1 | Endothelin antagonists | BANYU PHARMA CO LTD (JP) | 2000-11-02 | — | — | EP | disclosed |
| US-5925731-A | FOR TREATMENT OR PROPHYLAXIS OF ACUTE RENAL FAILURE, MYOCARDIAL INFARCTION, HEPATIC DISEASE, OR BRONCHIAL DISORDER | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1999-07-20 | — | — | US | disclosed |
| EP-0460679-B1 | Endothelin antagonistic peptide derivatives | BANYU PHARMA CO LTD (JP) | 1998-10-28 | — | — | EP | disclosed |
| EP-0632052-B1 | Endothelin antagonistic peptides | BANYU PHARMA CO LTD (JP) | 1998-09-30 | — | — | EP | disclosed |
| EP-0852584-A1 | PEPTIDE DERIVATIVES HAVING ENDOTHELIN RECEPTOR ANTAGONISTIC ACTIVITY | Takeda Chemical Industries, Ltd. (JP) | 1998-07-15 | — | — | EP | disclosed |
| US-5691315-A | CARDIOVASCULAR DISORDERS; VASODILATOR; BRONCHODILATOR | BANYU PHARMACEUTICAL CO., LTD. (JP) | 1997-11-25 | — | — | US | disclosed |
| WO-1997011961-A1 | PEPTIDE DERIVATIVES HAVING ENDOTHELIN RECEPTOR ANTAGONISTIC ACTIVITY | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1997-04-03 | — | — | WO | disclosed |
| US-5614498-A | OLIGOPEPTIDES, BRONCHDILATORS | BANYU PHARMACEUTICAL CO., LTD. (JP) | 1997-03-25 | — | — | US | disclosed |
| US-5496928-A | Endothelin antagonistic substance | BANYU PHARMACEUTICAL CO., LTD. (JP) | 1996-03-05 | — | — | US | disclosed |
| US-5494897-A | PENTAPEPTIDES, LINEAR OR CYCLIC | BANYU PHARMACEUTICAL CO., LTD. (JP) | 1996-02-27 | — | — | US | disclosed |
| US-5470833-A | Vasodilators, bronchodilators | BANYU PHARMACEUTICAL CO., LTD. (JP) | 1995-11-28 | — | — | US | disclosed |
| US-5444152-A | Vasolidator or bronchodilator | BANYU PHARMACEUTICAL CO., LTD. (JP) | 1995-08-22 | — | — | US | disclosed |
| EP-0632052-A1 | Endothelin antagonistic peptides | BANYU PHARMACEUTICAL CO., LTD. (JP) | 1995-01-04 | — | — | EP | disclosed |
| EP-0555537-A2 | Endothelin antagonistic substance | BANYU PHARMACEUTICAL CO., LTD. (JP) | 1993-08-18 | — | — | EP | disclosed |
| EP-0460679-A2 | Endothelin antagonistic peptide derivatives | Banyu Pharmaceutical Co., Ltd. (JP) | 1991-12-11 | — | — | EP | disclosed |