⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4443092 | 1.00 | — | — | |
| SCHEMBL819793 | 0.83 | — | — | |
| SCHEMBL818467 | 0.83 | — | — | |
| SCHEMBL818468 | 0.83 | — | — | |
| SCHEMBL10934473 | 0.75 | TSHR (0.42) | — | |
| SCHEMBL10934468 | 0.75 | TSHR (0.42) | — | |
| SCHEMBL16369047 | 0.73 | TSHR (0.53) | — | |
| SCHEMBL10705998 | 0.71 | — | — | |
| SCHEMBL5623653 | 0.71 | — | — | |
| SCHEMBL1136739 | 0.71 | — | — |
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 |