⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3634182 | 0.68 | TLR8 (0.35) | — | |
| SCHEMBL2470467 | 0.67 | TBXAS1 (0.37) | — | |
| SCHEMBL20267451 | 0.67 | — | — | |
| SCHEMBL4931183 | 0.66 | — | — | |
| SCHEMBL6305171 | 0.64 | ALDH1A1 (0.40) | — | |
| SCHEMBL20099499 | 0.64 | EGLN3 (0.43) | — | |
| SCHEMBL18997316 | 0.63 | TP53 (0.34) | — | |
| SCHEMBL4935928 | 0.62 | — | — | |
| SCHEMBL4927570 | 0.61 | — | — | |
| SCHEMBL18680075 | 0.61 | HRH4 (0.47) | — |
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 |