⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10468072 | 0.93 | — | — | |
| SCHEMBL9312201 | 0.90 | — | — | |
| SCHEMBL10468998 | 0.81 | PDE4B (0.46) | — | |
| SCHEMBL10468691 | 0.81 | — | — | |
| SCHEMBL10469021 | 0.79 | HTR1A (0.47) | — | |
| SCHEMBL10468583 | 0.77 | PDE4A (0.47) | — | |
| SCHEMBL10469020 | 0.77 | HTR2A (0.47) | — | |
| SCHEMBL10467208 | 0.75 | HTR2A (0.56) | — | |
| SCHEMBL10469645 | 0.75 | PDE4B (0.46) | — | |
| SCHEMBL10469708 | 0.74 | — | — |
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-4957914-A | ANTIDEPRESSANTS, ANXIOLYTICS, HYPOTENSIVE AGENTS | SYNTEX (U.S.A.) INC. (US) | 1990-09-18 | — | — | US | disclosed |