⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4422206 | 1.00 | — | — | |
| SCHEMBL16796695 | 1.00 | — | — | |
| SCHEMBL196713 | 0.78 | — | — | |
| SCHEMBL7560829 | 0.77 | — | — | |
| SCHEMBL7558453 | 0.77 | — | — | |
| SCHEMBL1956609 | 0.77 | — | — | |
| SCHEMBL875272 | 0.76 | — | — | |
| SCHEMBL7890405 | 0.76 | — | — | |
| SCHEMBL1762574 | 0.74 | TSHR (0.31) | — | |
| SCHEMBL570971 | 0.74 | — | — |
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-6603015-B2 | Antitumor agents; anticancer agents; malaria; Alzheimer's disease | UNIVERSITY OF KANSAS | 2003-08-05 | — | — | US | disclosed |
| US-20020156289-A1 | Synthesis of epothilones | THE UNIVERSITY OF KANSAS | 2002-10-24 | — | — | US | disclosed |