⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5639259 | 1.00 | — | — | |
| SCHEMBL18868445 | 0.85 | ALDH1A1 (0.47) | — | |
| SCHEMBL12572575 | 0.85 | ALDH1A1 (0.47) | — | |
| SCHEMBL16853126 | 0.77 | GABRR1 (0.46) | — | |
| SCHEMBL27578511 | 0.77 | GABRR1 (0.46) | — | |
| SCHEMBL839631 | 0.74 | — | — | |
| SCHEMBL801900 | 0.74 | — | — | |
| SCHEMBL18489326 | 0.74 | ALDH1A1 (0.71) | — | |
| SCHEMBL6544665 | 0.74 | — | — | |
| SCHEMBL6545188 | 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-7102007-B2 | Dihydroindole and tetrahydroquinoline derivatives | HOFFMANN-LA ROCHE INC. (US) | 2006-09-05 | — | — | US | disclosed |
| US-20050020624-A1 | Dihydroindole and tetrahydroquinoline derivatives | AEBI JOHANNES (CH) | 2005-01-27 | — | — | US | disclosed |
| US-6706751-B2 | ANTICHOLESTEROL AGENTS; CARDIOVASCULAR DISORDERS; ANTIDIABETIC AGENTS; ANTIPROLIFERATIVE AGENTS | HOFFMAN-LA ROCHE INC. | 2004-03-16 | — | — | US | disclosed |