⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9528211 | 0.86 | DRD2 (0.52) | — | |
| SCHEMBL9528322 | 0.83 | — | — | |
| SCHEMBL9527015 | 0.83 | — | — | |
| SCHEMBL9528106 | 0.83 | — | — | |
| SCHEMBL9527911 | 0.82 | HTR1A (0.58) | — | |
| SCHEMBL9759890 | 0.82 | DRD2 (0.67) | — | |
| SCHEMBL11002569 | 0.81 | DRD2 (0.49) | — | |
| SCHEMBL9526876 | 0.80 | HTR1A (0.48) | — | |
| SCHEMBL9759535 | 0.77 | — | — | |
| Hydrochloric Acid SCHEMBL9759899 | 0.77 | — | — |
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-5053508-A | Anxiolytic agents | AMERICAN HOME PRODUCTS CORPORATION (US) | 1991-10-01 | — | — | US | disclosed |