⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5464431 | 0.83 | KDM4E (0.32) | — | |
| SCHEMBL5455919 | 0.77 | SRC (0.34) | — | |
| SCHEMBL5449462 | 0.76 | ALDH1A1 (0.37) | — | |
| SCHEMBL5458277 | 0.75 | MMP13 (0.39) | — | |
| SCHEMBL31292024 | 0.68 | CYP3A4 (0.32) | — | |
| SCHEMBL6479528 | 0.66 | F2 (0.32) | — | |
| SCHEMBL6478576 | 0.66 | F2 (0.32) | — | |
| SCHEMBL5171227 | 0.64 | CNR1 (0.35) | — | |
| SCHEMBL7237135 | 0.63 | F10 (0.42) | — | |
| SCHEMBL7248554 | 0.62 | F10 (0.42) | — |
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-20070244087-A1 | 2-ALKOXY-3,4,5-TRIHYDROXY-ALKYLAMIDES, PREPARATION THEREOF, COMPOSITIONS CONTAINING THEM AND USE THEREOF | AVENTIS PHARMA S.A. (FR) | 2007-10-18 | — | — | US | disclosed |