⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20963211 | 0.82 | GABRR1 (0.39) | — | |
| SCHEMBL17538539 | 0.74 | — | — | |
| SCHEMBL15027049 | 0.74 | — | — | |
| SCHEMBL5933640 | 0.74 | — | — | |
| SCHEMBL21126665 | 0.74 | — | — | |
| SCHEMBL4859162 | 0.72 | METAP1 (0.34) | — | |
| SCHEMBL19481147 | 0.72 | METAP1 (0.34) | — | |
| SCHEMBL13070011 | 0.72 | — | — | |
| SCHEMBL12372465 | 0.72 | ALDH1A1 (0.36) | — | |
| SCHEMBL11128158 | 0.72 | GABRR1 (0.33) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-10744128-B2 | 6-(5-membered heteroaryl)isoquinolin-3-yl-(5-membered heteroaryl) carboxamides and preparation and use thereof | SAMUMED, LLC (US) | 2020-08-18 | — | — | US | disclosed |
| US-10287267-B2 | Isoquinolin-3-yl carboxamides and preparation and use thereof | SAMUMED, LLC (US) | 2019-05-14 | — | — | US | disclosed |
| US-20180208580-A1 | ISOQUINOLIN-3-YL CARBOXAMIDES AND PREPARATION AND USE THEREOF | VICKERS VENTURE FUND VI PTE. LTD. (SG) | 2018-07-26 | — | — | US | disclosed |