⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11825971 | 0.62 | — | — | |
| SCHEMBL5941197 | 0.59 | — | — | |
| SCHEMBL879242 | 0.57 | — | — | |
| SCHEMBL919409 | 0.55 | — | — | |
| SCHEMBL66346 | 0.55 | — | — | |
| SCHEMBL168340 | 0.55 | — | — | |
| SCHEMBL12071034 | 0.55 | — | — | |
| Potassium SCHEMBL29955645 | 0.55 | — | — | |
| SCHEMBL7542313 | 0.52 | — | — | |
| SCHEMBL7542281 | 0.52 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20040142987-A1 | 3-aminoalkyl-2-aryl-indole derivatives and their use as gnrh antagonists | ASTRAZENECA, AB (SE) | 2004-07-22 | — | — | US | disclosed |