⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6039933 | 0.80 | — | — | |
| SCHEMBL14743895 | 0.73 | — | — | |
| SCHEMBL4688587 | 0.73 | — | — | |
| Isovaleramide SCHEMBL6055503 | 0.68 | ALDH1A1 (0.53) | — | |
| Isovaleramide SCHEMBL9641 | 0.68 | — | — | |
| SCHEMBL3392036 | 0.68 | ALDH1A1 (0.38) | — | |
| SCHEMBL8014736 | 0.67 | — | — | |
| Isovaleramide SCHEMBL9846971 | 0.66 | — | — | |
| Isovaleramide SCHEMBL1650316 | 0.66 | — | — | |
| SCHEMBL4604004 | 0.66 | — | — |
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-20080280965-A1 | Novel tetrahydrocarbazole derivatives having improved biological action and improved solubility as ligands of G-protein coupled receptors (GPCPs) | KLAUS PAULINI, ET AL. | 2008-11-13 | — | — | US | disclosed |