⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2595529 | 0.96 | — | — | |
| SCHEMBL2596377 | 0.85 | HRH3 (0.36) | — | |
| SCHEMBL2595666 | 0.81 | ASIC3 (0.37) | — | |
| SCHEMBL2593506 | 0.75 | HRH3 (0.38) | — | |
| SCHEMBL2596374 | 0.75 | MCHR1 (0.35) | — | |
| SCHEMBL2635212 | 0.74 | PRKCZ (0.31) | — | |
| SCHEMBL3655184 | 0.74 | PRKCZ (0.31) | — | |
| SCHEMBL3655250 | 0.74 | — | — | |
| SCHEMBL2475965 | 0.74 | — | — | |
| SCHEMBL2478797 | 0.74 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2569303-A1 | SUBSTITUTED N-ALKYL AND N-ACYL TETRAHYDRO-ISOQUINOLINE DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF | SANOFI (FR) | 2013-03-20 | — | — | EP | claimed |
| WO-2011143145-A1 | SUBSTITUTED N-ALKYL AND N-ACYL TETRAHYDRO-ISOQUINOLINE DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF | SANOFI (FR) | 2011-11-17 | — | — | WO | claimed |
| WO-2011143145-A1 | SUBSTITUTED N-ALKYL AND N-ACYL TETRAHYDRO-ISOQUINOLINE DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF | SANOFI (FR) | 2011-11-17 | — | — | WO | disclosed |