⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3755540 | 0.79 | — | — | |
| SCHEMBL3759401 | 0.75 | — | — | |
| SCHEMBL3754711 | 0.74 | — | — | |
| SCHEMBL15540901 | 0.73 | — | — | |
| SCHEMBL10818184 | 0.73 | — | — | |
| SCHEMBL19286502 | 0.72 | — | — | |
| SCHEMBL248750 | 0.72 | — | — | |
| SCHEMBL18631956 | 0.72 | — | — | |
| SCHEMBL3762929 | 0.72 | — | — | |
| SCHEMBL3758050 | 0.72 | — | — |
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 16 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113226469-A | Imidazopyrazine derivatives as antibacterial agents | 豪夫迈·罗氏有限公司 | 2021-08-06 | — | — | CN | disclosed |
| CN-113195497-A | Novel imidazopyrazine derivatives | 豪夫迈·罗氏有限公司 | 2021-07-30 | — | — | CN | disclosed |
| CN-113195498-A | Novel imidazopyrazine derivatives | 豪夫迈·罗氏有限公司 | 2021-07-30 | — | — | CN | disclosed |
| CN-113164771-A | Imidazopyrazine derivatives as antibacterial agents | 豪夫迈·罗氏有限公司 | 2021-07-23 | — | — | CN | disclosed |
| US-8084485-B2 | 6-(aminoalkyl)indazoles | VITAE PHARMACEUTICALS, INC. (US) | 2011-12-27 | — | — | US | disclosed |
| US-20100331287-A1 | 6-(Aminoalkyl)Indazoles | VITAE PHARMACEUTICALS, INC. | 2010-12-30 | — | — | US | disclosed |
| US-20100298328-A1 | 1-Heterocyclylamino-2-Hydroxy-3-Amino-Omega-Arylalkanes | VITAE PHARMACEUTICALS, INC | 2010-11-25 | — | — | US | disclosed |
| US-20080293701-A1 | 1-Acylamino-2-Hydroxy-3-Amino- -Arylalkanes as Renin Inhibitors | VITAE PHARMACEUTICALS, INC. | 2008-11-27 | — | — | US | disclosed |
| WO-2007123718-A1 | 1-HETEROCYCLYLAMINO-2-HYDROXY-3-AMINO-ω-ARYLALKANES | VITAE PHARMACEUTICALS, INC. (US) | 2007-11-01 | — | — | WO | disclosed |
| EP-1844002-A1 | 1-ACYLAMINO-2-HYDROXY-3-AMINO-W-ARYLALKANES AS RENIN INHIBITORS | Vitae Pharmaceuticals, Inc. (US) | 2007-10-17 | — | — | EP | disclosed |
| WO-2006083924-A1 | 1-ACYLAMINO-2-HYDROXY-3-AMINO-W-ARYLALKANES AS RENIN INHIBITORS | VITAE PHARMACEUTICALS, INC. (US) | 2006-08-10 | — | — | WO | disclosed |
| US-5628980-A | Nonionic radiographic contrast agents | BRACCO INTERNATIONAL B.V. (NL) | 1997-05-13 | — | — | US | disclosed |
| US-5614638-A | Nonionic radiographic contrast agents | BRACCO INTERNATIONAL B.V. (NL) | 1997-03-25 | — | — | US | disclosed |
| US-5591846-A | Nonionic radiographic contrast agents | BRACCO INTERNATIONAL B.V. | 1997-01-07 | — | — | US | disclosed |
| EP-0431838-B1 | Nonionic radiographic contrast agents | BRACCO INT BV (NL) | 1995-10-25 | — | — | EP | disclosed |
| EP-0431838-A1 | Nonionic radiographic contrast agents | BRACCO INTERNATIONAL B.V. (NL) | 1991-06-12 | — | — | EP | disclosed |