⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5637279 | 0.78 | — | — | |
| SCHEMBL9095268 | 0.70 | PDPK1 (0.35) | — | |
| SCHEMBL11600094 | 0.70 | — | — | |
| SCHEMBL586988 | 0.67 | CYP19A1 (0.34) | — | |
| SCHEMBL3072251 | 0.67 | — | — | |
| SCHEMBL3062201 | 0.66 | — | — | |
| SCHEMBL8066255 | 0.64 | RAB9A (0.44) | — | |
| SCHEMBL10446539 | 0.62 | ALDH1A1 (0.32) | — | |
| SCHEMBL3066035 | 0.62 | — | — | |
| SCHEMBL5884963 | 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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7173137-B2 | Epothilone analogs | THE SCRIPPS RESEARCH INSTITUTE (US) | 2007-02-06 | — | — | US | disclosed |
| US-20040127432-A1 | Epothilone analogs | THE SCRIPPS RESEARCH INSTITUTE | 2004-07-01 | — | — | US | disclosed |
| US-6660758-B1 | Prevention of mitosis; induction and stabilization of microtubules | THE SCRIPPS RESEARCH INSTITUTE | 2003-12-09 | — | — | US | disclosed |
| US-6441186-B1 | ANTICANCER AGENTS; PREVENTION OF MITOSIS THROUGH INDUCTION AND STABILIZATION OF MICROTUBULIN ASSEMBLY; SUPERIOR CYTOTOXIC ACTIVITIES | THE SCRIPPS RESEARCH INSTITUTE | 2002-08-27 | — | — | US | disclosed |
| EP-0944634-A1 | EPOTHILONE ANALOGS | Novartis AG (CH) | 1999-09-29 | — | — | EP | disclosed |
| WO-1998025929-A1 | EPOTHILONE ANALOGS | NOVARTIS AG (CH) | 1998-06-18 | — | — | WO | disclosed |