⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20456741 | 0.80 | TAS1R3 (0.30) | — | |
| SCHEMBL4743068 | 0.74 | CYP3A4 (0.42) | — | |
| SCHEMBL4743103 | 0.74 | CYP3A4 (0.42) | — | |
| SCHEMBL8245015 | 0.74 | CYP3A4 (0.42) | — | |
| SCHEMBL13179288 | 0.72 | ACACB (0.36) | — | |
| SCHEMBL3723707 | 0.72 | HIF1A (0.32) | — | |
| SCHEMBL2625154 | 0.68 | CYP3A4 (0.34) | — | |
| SCHEMBL6857307 | 0.68 | ALDH1A1 (0.32) | — | |
| SCHEMBL1706304 | 0.67 | HIF1A (0.34) | — | |
| SCHEMBL6098 | 0.67 | HIF1A (0.34) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2011080562-A1 | NOVEL AZA-PEPTIDES CONTAINING 2,2-DISUBSTITUTED CYCLOBUTYL AND/OR SUBSTITUTED ALKOXY BENZYL DERIVATIVES AS ANTIVIRALS | HETERO RESEARCH FOUNDATION (IN) | 2011-07-07 | — | — | WO | disclosed |