⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL32667916 | 0.56 | — | — | |
| SCHEMBL9936611 | 0.46 | — | — | |
| SCHEMBL7995522 | 0.39 | — | — | |
| SCHEMBL3078599 | 0.37 | — | — | |
| SCHEMBL6053208 | 0.35 | — | — | |
| SCHEMBL708361 | 0.33 | — | — | |
| SCHEMBL29441862 | 0.28 | — | — | |
| Water SCHEMBL490048 | 0.28 | — | — | |
| SCHEMBL561897 | 0.27 | — | — | |
| SCHEMBL10066089 | 0.24 | — | — |
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-4327095-A | TRANQUICIZERS, ANTICONVULSANTS DECONTRACTURANTS AND HYPNOGENIC AGENTS | RHONE-POULENC INDUSTRIES (FR) | 1982-04-27 | — | — | US | disclosed |