⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4012297 | 0.86 | SLC6A3 (0.31) | — | |
| SCHEMBL28975278 | 0.78 | ECE1 (0.31) | — | |
| SCHEMBL153957 | 0.77 | ATP4A (0.35) | — | |
| SCHEMBL1436781 | 0.76 | — | — | |
| SCHEMBL28975284 | 0.76 | KAT2B (0.30) | — | |
| SCHEMBL4008413 | 0.75 | CA2 (0.33) | — | |
| SCHEMBL4262938 | 0.75 | — | — | |
| SCHEMBL303620 | 0.75 | — | — | |
| SCHEMBL23162754 | 0.74 | — | — | |
| SCHEMBL28975293 | 0.73 | SLC6A3 (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 5 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-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 |