⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL736040 | 0.85 | — | — | |
| SCHEMBL980443 | 0.73 | — | — | |
| SCHEMBL27988420 | 0.73 | — | — | |
| SCHEMBL28146195 | 0.73 | — | — | |
| SCHEMBL3296008 | 0.70 | SLC18A3 (0.42) | — | |
| SCHEMBL27848169 | 0.69 | — | — | |
| SCHEMBL5005539 | 0.68 | — | — | |
| SCHEMBL735074 | 0.67 | ADH1A (0.36) | — | |
| SCHEMBL27993266 | 0.67 | — | — | |
| SCHEMBL1928901 | 0.65 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2146967-A2 | TETRAHYDROINDOLE AND TETRAHYDROINDAZOLE DERIVATIVES | Serenex, Inc. (US) | 2010-01-27 | — | — | EP | disclosed |
| WO-2008130879-A2 | TETRAHYDROINDOLE AND TETRAHYDROINDAZOLE DERIVATIVES | SERENEX, INC. (US) | 2008-10-30 | — | — | WO | disclosed |
| US-20080269193-A1 | Tetrahydroindole and Tetrahydroindazole Derivatives | SERENEX, INC. | 2008-10-30 | — | — | US | disclosed |