⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12234876 | 0.77 | OPRM1 (0.31) | — | |
| SCHEMBL8222036 | 0.69 | — | — | |
| SCHEMBL16984325 | 0.69 | — | — | |
| SCHEMBL25678530 | 0.65 | — | — | |
| SCHEMBL29672405 | 0.65 | MAPT (0.37) | — | |
| SCHEMBL26049822 | 0.65 | — | — | |
| SCHEMBL18862747 | 0.65 | — | — | |
| SCHEMBL31699774 | 0.65 | HTR2C (0.31) | — | |
| SCHEMBL14654797 | 0.63 | — | — | |
| SCHEMBL23074935 | 0.62 | — | — |
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-20230125280-A1 | TETRAHYDROISOQUINOLINE DERIVATIVES | CYTOKINETICS, INCORPORATED | 2023-04-27 | — | — | US | disclosed |
| US-11479561-B2 | Tetrahydroisoquinoline derivatives | CYTOKINETICS, INCORPORATED (US) | 2022-10-25 | — | — | US | disclosed |
| US-20200270266-A1 | TETRAHYDROISOQUINOLINE DERIVATIVES | ASTELLAS PHARMA INC. (JP) | 2020-08-27 | — | — | US | disclosed |