⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL174397 | 0.72 | FFAR3 (0.32) | — | |
| Dioxane SCHEMBL1855733 | 0.71 | SMN1; SMN2 (0.33) | — | |
| SCHEMBL28863673 | 0.70 | — | — | |
| Hydrochloric Acid SCHEMBL4359360 | 0.70 | FFAR3 (0.31) | — | |
| SCHEMBL628215 | 0.70 | — | — | |
| Hydrochloric Acid SCHEMBL2198959 | 0.70 | FFAR3 (0.31) | — | |
| SCHEMBL7387847 | 0.65 | NPSR1 (0.37) | — | |
| SCHEMBL20599744 | 0.65 | CYP3A4 (0.32) | — | |
| SCHEMBL4589011 | 0.65 | CYP2C19 (0.33) | — | |
| SCHEMBL741463 | 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0690050-B1 | (Thia)cycloalkyl(b) indole derivatives as 5-lipoxygenase inhibitors | ADIR (FR) | 1999-11-17 | — | — | EP | disclosed |
| EP-0690050-A1 | (Thia)cycloalkyl(b) indole derivatives as 5-lipoxygenase inhibitors | ADIR ET COMPAGNIE (FR) | 1996-01-03 | — | — | EP | disclosed |