⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7118503 | 0.82 | POLB (0.33) | — | |
| SCHEMBL6200283 | 0.82 | — | — | |
| SCHEMBL16526219 | 0.81 | — | — | |
| SCHEMBL14399314 | 0.80 | CA2 (0.32) | — | |
| SCHEMBL8225520 | 0.80 | — | — | |
| SCHEMBL4287984 | 0.80 | ALDH1A1 (0.32) | — | |
| SCHEMBL11099311 | 0.80 | — | — | |
| SCHEMBL13189759 | 0.76 | ALDH1A1 (0.39) | — | |
| SCHEMBL28304209 | 0.76 | HSP90AB1 (0.38) | — | |
| SCHEMBL20262295 | 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 |
|---|---|---|---|---|---|---|---|
| US-20080033007-A1 | Substituted Tetrahydroisoquinoline Compounds for Cancer Therapy | MILLER DUANE D | 2008-02-07 | — | — | US | disclosed |
| US-20070270460-A1 | SUBSTITUTED TETRAHYDROISOQUINOLINE COMPOUNDS, METHODS OF MAKING, AND THEIR USE | MILLER DUANE D | 2007-11-22 | — | — | US | disclosed |
| US-7241774-B2 | Substituted tetrahydroisoquinoline compounds, methods of making, and their use | UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION (US) | 2007-07-10 | — | — | US | disclosed |