⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3080109 | 1.00 | — | — | |
| SCHEMBL3308098 | 0.85 | — | — | |
| SCHEMBL1515753 | 0.78 | ALDH1A1 (0.42) | — | |
| SCHEMBL1515757 | 0.78 | ALDH1A1 (0.42) | — | |
| SCHEMBL1515854 | 0.78 | ALDH1A1 (0.42) | — | |
| SCHEMBL15256677 | 0.77 | ALDH1A1 (0.39) | — | |
| SCHEMBL16654600 | 0.77 | ALDH1A1 (0.39) | — | |
| SCHEMBL18358256 | 0.76 | — | — | |
| SCHEMBL8596836 | 0.75 | — | — | |
| SCHEMBL14935884 | 0.75 | CA2 (0.32) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8410305-B2 | Intermediates and methods for the preparation of epothilones | KOSAN BIOSCIENCES INCORPORATED (US) | 2013-04-02 | — | — | US | disclosed |
| US-20100267943-A1 | INTERMEDIATES AND METHODS FOR THE PREPARATION OF EPOTHILONES | KOSAN BIOSCIENCES INCORPORATED | 2010-10-21 | — | — | US | disclosed |
| WO-2009064800-A1 | INTERMEDIATES AND METHODS FOR THE PREPARATION OF EPOTHILONES | KOSAN BIOSCIENCES, INC. (US) | 2009-05-22 | — | — | WO | disclosed |