⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9759513 | 0.86 | HTR1A (0.48) | — | |
| SCHEMBL9527435 | 0.83 | — | — | |
| SCHEMBL9526336 | 0.82 | — | — | |
| SCHEMBL10660956 | 0.81 | — | — | |
| SCHEMBL9527982 | 0.81 | — | — | |
| SCHEMBL9529768 | 0.80 | ALDH1A1 (0.53) | — | |
| SCHEMBL9759315 | 0.79 | HTR1A (0.48) | — | |
| SCHEMBL13532600 | 0.79 | — | — | |
| SCHEMBL9527873 | 0.79 | — | — | |
| SCHEMBL9822816 | 0.78 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-5053508-A | Anxiolytic agents | AMERICAN HOME PRODUCTS CORPORATION (US) | 1991-10-01 | — | — | US | claimed |
| US-5053508-A | Anxiolytic agents | AMERICAN HOME PRODUCTS CORPORATION (US) | 1991-10-01 | — | — | US | disclosed |