⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4062798 | 0.97 | MIF (0.34) | — | |
| SCHEMBL18975253 | 0.97 | MIF (0.34) | — | |
| SCHEMBL15529274 | 0.92 | — | — | |
| SCHEMBL18881113 | 0.88 | SELP (0.35) | — | |
| SCHEMBL302841 | 0.83 | ALDH1A1 (0.39) | — | |
| SCHEMBL15557541 | 0.80 | — | — | |
| SCHEMBL1168913 | 0.80 | HMGCR (0.41) | — | |
| SCHEMBL1169581 | 0.80 | HMGCR (0.41) | — | |
| SCHEMBL1765934 | 0.80 | HMGCR (0.41) | — | |
| SCHEMBL10780122 | 0.80 | ALDH1A1 (0.38) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2009111830-A1 | CONJUGATED UNSATURATED COMPOUNDS | COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) | 2009-09-17 | — | — | WO | disclosed |
| WO-2009111830-A1 | CONJUGATED UNSATURATED COMPOUNDS | COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) | 2009-09-17 | — | — | WO | disclosed |