⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10678280 | 0.80 | L3MBTL1 (0.62) | — | |
| SCHEMBL8531406 | 0.76 | L3MBTL1 (0.34) | — | |
| SCHEMBL6905968 | 0.76 | L3MBTL1 (0.72) | — | |
| SCHEMBL8014968 | 0.76 | — | — | |
| SCHEMBL8528671 | 0.75 | L3MBTL1 (0.33) | — | |
| SCHEMBL8528808 | 0.75 | HRH2 (0.35) | — | |
| SCHEMBL11049254 | 0.75 | L3MBTL1 (0.51) | — | |
| SCHEMBL11545751 | 0.73 | L3MBTL1 (0.68) | — | |
| SCHEMBL2830891 | 0.73 | — | — | |
| SCHEMBL224925 | 0.72 | L3MBTL1 (0.49) | — |
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 |