⚠ 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 | |
|---|---|---|---|---|
| Methylamine SCHEMBL12352316 | 0.83 | — | — | |
| SCHEMBL821493 | 0.55 | — | — | |
| SCHEMBL416901 | 0.50 | — | — | |
| SCHEMBL11890279 | 0.50 | — | — | |
| Methylamine SCHEMBL4944403 | 0.50 | — | — | |
| Methylamine SCHEMBL14452576 | 0.50 | — | — | |
| Methylamine SCHEMBL1330940 | 0.47 | — | — | |
| Methylamine SCHEMBL6988408 | 0.47 | — | — | |
| Methylamine SCHEMBL1331336 | 0.47 | — | — | |
| SCHEMBL5153531 | 0.47 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8143274-B2 | 1-(2H)-isoquinolone derivative | CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) | 2012-03-27 | — | — | US | disclosed |
| US-20120022054-A1 | NOVEL SUBSTITUTED ARYL DERIVATIVES, THEIR PROCESS OF PREPARATION AND THEIR THERAPEUTICAL USES AS ANTI-HIV AGENTS | LABORATOIRE BIODIM (FR) | 2012-01-26 | — | — | US | disclosed |
| US-20100298377-A1 | NOVEL SUBSTITUTED INDAZOLES, THE PREPARATION THEREOF AND USE OF SAME IN THERAPEUTICS | SANOFI-AVENTIS (FR) | 2010-11-25 | — | — | US | disclosed |
| US-20070185160-A1 | 1-(2H)-isoquinolone derivative | CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) | 2007-08-09 | — | — | US | disclosed |