⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL746873 | 1.00 | — | — | |
| SCHEMBL7147272 | 0.90 | MAPT (0.50) | — | |
| SCHEMBL4937612 | 0.90 | MAPT (0.50) | — | |
| SCHEMBL6537162 | 0.90 | MAPT (0.50) | — | |
| SCHEMBL749955 | 0.89 | — | — | |
| SCHEMBL17316227 | 0.89 | — | — | |
| SCHEMBL28569086 | 0.86 | — | — | |
| Nonanal SCHEMBL11055718 | 0.83 | TSHR (0.64) | — | |
| 2-Pentanol SCHEMBL6354152 | 0.81 | TSHR (0.61) | — | |
| Glutaral SCHEMBL5421846 | 0.80 | HIF1A (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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9809566-B2 | Organocatalytic process for asymmetric synthesis of decanolides | COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) | 2017-11-07 | — | — | US | disclosed |
| WO-2012033266-A1 | NOVEL ARTEMISININ OR DEOXOARTEMISININ-GLYCOLIPID HYBRID DERIVATIVES AND ANTIANGIOGENIC USE THEREOF | INDUSTRY-ACADEMIC COOPERATION FOUNDATION, YONSEI UNIVERSITY (KR) | 2012-03-15 | — | — | WO | disclosed |