⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17285971 | 0.72 | CA12 (0.37) | — | |
| SCHEMBL17286063 | 0.72 | CA12 (0.37) | — | |
| SCHEMBL28238817 | 0.68 | — | — | |
| SCHEMBL28310282 | 0.67 | — | — | |
| SCHEMBL28311004 | 0.66 | — | — | |
| SCHEMBL3756700 | 0.65 | — | — | |
| SCHEMBL769923 | 0.65 | ADH1B (0.59) | — | |
| SCHEMBL359530 | 0.62 | — | — | |
| SCHEMBL14094260 | 0.62 | — | — | |
| SCHEMBL29055593 | 0.62 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0157762-B1 | NEW SUBSTITUTED PIPERIDINOGUANIDINES, PREPARATION PROCESS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM | BOUCHARA S.A. (FR) | 1990-08-08 | — | — | EP | disclosed |