⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4189758 | 0.81 | TSHR (0.32) | — | |
| SCHEMBL4189755 | 0.81 | TSHR (0.32) | — | |
| SCHEMBL8026137 | 0.81 | TSHR (0.32) | — | |
| SCHEMBL4196520 | 0.79 | — | — | |
| SCHEMBL4196513 | 0.79 | — | — | |
| SCHEMBL10850437 | 0.77 | — | — | |
| SCHEMBL10850432 | 0.77 | — | — | |
| SCHEMBL10763335 | 0.77 | — | — | |
| SCHEMBL2820698 | 0.73 | — | — | |
| SCHEMBL4590093 | 0.73 | — | — |
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-20030176710-A1 | C1-C6-epothilone fragments and process for the production of C1-C6-fragments of epothilones and derivatives thereof | SCHERING AG (DE) | 2003-09-18 | — | — | US | disclosed |
| WO-2003053949-A1 | C1-C6 FRAGMENTS OF EPOTHILONES AND METHOD FOR PRODUCING SUCH FRAGMENTS AND THE DERIVATIVES THEREOF | SCHERING AKTIENGESELLSCHAFT (DE) | 2003-07-03 | — | — | WO | disclosed |