⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3503633 | 1.00 | — | — | |
| SCHEMBL11203400 | 0.97 | — | — | |
| SCHEMBL6865263 | 0.97 | — | — | |
| SCHEMBL7859107 | 0.79 | — | — | |
| SCHEMBL2318466 | 0.77 | AKR1B1 (0.36) | — | |
| SCHEMBL1392324 | 0.74 | — | — | |
| SCHEMBL6433814 | 0.74 | — | — | |
| SCHEMBL14845625 | 0.74 | AKR1B1 (0.33) | — | |
| SCHEMBL15048899 | 0.74 | — | — | |
| SCHEMBL10768199 | 0.74 | — | — |
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-8188141-B2 | Isomigrastatin analogs in the treatment of cancer | SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) | 2012-05-29 | — | — | US | disclosed |
| US-20090054488-A1 | Isomigrastatin Analogs In The Treatment Of Cancer | NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR | 2009-02-26 | — | — | US | disclosed |