⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12670218 | 1.00 | — | — | |
| SCHEMBL681456 | 1.00 | — | — | |
| SCHEMBL686433 | 1.00 | — | — | |
| SCHEMBL11810828 | 0.81 | — | — | |
| SCHEMBL13419002 | 0.81 | — | — | |
| SCHEMBL1357404 | 0.80 | — | — | |
| SCHEMBL9009154 | 0.78 | — | — | |
| SCHEMBL2608976 | 0.73 | — | — | |
| SCHEMBL28120155 | 0.73 | — | — | |
| SCHEMBL8469263 | 0.72 | — | — |
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-8324284-B2 | Migrastatin analogs and uses thereof | SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) | 2012-12-04 | — | — | US | disclosed |
| US-8202911-B2 | Migrastatin analog compositions and uses thereof | CORNELL RESEARCH FOUNDATION, INC. (US) | 2012-06-19 | — | — | US | disclosed |