⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23863911 | 0.80 | — | — | |
| SCHEMBL8527763 | 0.74 | — | — | |
| SCHEMBL3322875 | 0.66 | — | — | |
| SCHEMBL786437 | 0.66 | NOS3 (0.31) | — | |
| SCHEMBL8528800 | 0.65 | — | — | |
| SCHEMBL13034847 | 0.64 | — | — | |
| Ammonia Solution, Strong SCHEMBL28135320 | 0.64 | NOS3 (0.30) | — | |
| SCHEMBL18595029 | 0.64 | — | — | |
| Hydrochloric Acid SCHEMBL28150542 | 0.64 | NOS3 (0.30) | — | |
| SCHEMBL4616815 | 0.64 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0460679-B1 | Endothelin antagonistic peptide derivatives | BANYU PHARMA CO LTD (JP) | 1998-10-28 | — | — | EP | disclosed |
| US-5691315-A | CARDIOVASCULAR DISORDERS; VASODILATOR; BRONCHODILATOR | BANYU PHARMACEUTICAL CO., LTD. (JP) | 1997-11-25 | — | — | 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-0460679-A2 | Endothelin antagonistic peptide derivatives | Banyu Pharmaceutical Co., Ltd. (JP) | 1991-12-11 | — | — | EP | disclosed |