⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6948208 | 0.77 | — | — | |
| SCHEMBL27561265 | 0.74 | — | — | |
| SCHEMBL7609367 | 0.74 | — | — | |
| SCHEMBL5347474 | 0.72 | — | — | |
| SCHEMBL27642327 | 0.71 | — | — | |
| SCHEMBL7412312 | 0.69 | — | — | |
| SCHEMBL6946855 | 0.67 | — | — | |
| SCHEMBL23292730 | 0.67 | — | — | |
| SCHEMBL28872871 | 0.67 | — | — | |
| SCHEMBL9842424 | 0.65 | TP53 (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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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 |
| WO-2007120523-A2 | 6-(AMINOALKYL)INDAZOLES | VITAE PHARMACEUTICALS, INC. (US) | 2007-10-25 | — | — | 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 |