⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3842807 | 0.94 | SLC6A1 (0.50) | — | |
| SCHEMBL3840286 | 0.92 | SLC6A1 (0.54) | — | |
| SCHEMBL28959996 | 0.90 | BCHE (0.55) | — | |
| SCHEMBL3837949 | 0.89 | BCHE (0.51) | — | |
| SCHEMBL3839600 | 0.89 | CYP1A2 (0.55) | — | |
| SCHEMBL3844246 | 0.88 | ALDH1A1 (0.53) | — | |
| SCHEMBL3865049 | 0.83 | SLC6A1 (0.55) | — | |
| SCHEMBL3840187 | 0.83 | BCHE (0.61) | — | |
| SCHEMBL3841038 | 0.82 | SLC6A1 (0.54) | — | |
| SCHEMBL3839566 | 0.82 | SLC6A1 (0.54) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1931341-B1 | 1H-INDOLE-PYRIDINECARBOXAMIDE AND 1H-INDOLE-PIPERIDINECARBOXAMIDE DERIVATIVES AND THEIR USE AS TYROSINE HYDROXYLASE INDUCERS | SERVIER LAB (FR) | 2009-11-04 | — | — | EP | disclosed |