⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11501728 | 0.93 | — | — | |
| SCHEMBL104763 | 0.78 | PYCR1 (0.40) | — | |
| SCHEMBL9753489 | 0.72 | CA12 (0.38) | — | |
| SCHEMBL13837013 | 0.69 | CA12 (0.36) | — | |
| SCHEMBL125588 | 0.69 | — | — | |
| SCHEMBL6642627 | 0.67 | PYCR1 (0.31) | — | |
| SCHEMBL2576742 | 0.67 | PYCR1 (0.31) | — | |
| SCHEMBL8391293 | 0.67 | — | — | |
| SCHEMBL169244 | 0.67 | — | — | |
| SCHEMBL17123709 | 0.67 | — | — |
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 |