⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2124257 | 0.78 | CYP2C19 (0.31) | — | |
| SCHEMBL11611121 | 0.78 | CYP2C19 (0.31) | — | |
| SCHEMBL5321582 | 0.78 | CYP2C19 (0.31) | — | |
| Hydrochloric Acid SCHEMBL4260557 | 0.77 | MEN1 (0.31) | — | |
| SCHEMBL5322364 | 0.77 | CYP2C19 (0.33) | — | |
| SCHEMBL11355837 | 0.75 | CYP2C19 (0.31) | — | |
| SCHEMBL3865460 | 0.73 | CYP1A2 (0.33) | — | |
| SCHEMBL6215052 | 0.73 | CYP1A2 (0.33) | — | |
| SCHEMBL6680402 | 0.73 | CYP1A2 (0.33) | — | |
| SCHEMBL3077333 | 0.72 | EPHX1 (0.40) | — |
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-9150541-B2 | Tetrahydroisoquinolin-1-one derivative or salt thereof | SELDAR PHARMA INC. (US) | 2015-10-06 | — | — | US | disclosed |
| US-8486970-B2 | Tetrahydroisoquinolin-1-one derivative or salt thereof | SELDAR PHARMA INC. (US) | 2013-07-16 | — | — | US | disclosed |
| US-20100227866-A1 | TETRAHYDROISOQUINOLIN-1-ONE DERIVATIVE OR SALT THEREOF | ASTELLAS PHARMA INC. (JP) | 2010-09-09 | — | — | US | disclosed |