⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL51695 | 1.00 | — | — | |
| SCHEMBL14900105 | 0.95 | ALDH1A1 (0.39) | — | |
| SCHEMBL51928 | 0.92 | ALDH1A1 (0.41) | — | |
| SCHEMBL51186 | 0.91 | TSHR (0.38) | — | |
| SCHEMBL9133300 | 0.91 | TSHR (0.38) | — | |
| SCHEMBL7110791 | 0.91 | TSHR (0.38) | — | |
| SCHEMBL51130 | 0.90 | ALDH1A1 (0.44) | — | |
| SCHEMBL50931 | 0.90 | ALDH1A1 (0.44) | — | |
| SCHEMBL9129567 | 0.90 | ALDH1A1 (0.44) | — | |
| SCHEMBL11436974 | 0.90 | ALDH1A1 (0.44) | — |
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-9353077-B2 | Organocatalytic process for asymmetric synthesis of decanolides | COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) | 2016-05-31 | — | — | US | disclosed |