⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19090079 | 1.00 | — | — | |
| SCHEMBL14707773 | 1.00 | — | — | |
| SCHEMBL14707782 | 1.00 | — | — | |
| SCHEMBL14707788 | 1.00 | — | — | |
| SCHEMBL8316540 | 0.84 | — | — | |
| SCHEMBL2325604 | 0.84 | — | — | |
| SCHEMBL12525104 | 0.82 | — | — | |
| SCHEMBL12525045 | 0.82 | — | — | |
| SCHEMBL15424454 | 0.82 | — | — | |
| SCHEMBL12525133 | 0.82 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20170355695-A1 | SMYD Inhibitors | Epizyme, Inc. (US) | 2017-12-14 | — | — | US | disclosed |
| US-20130045933-A1 | ALOE-EMODIN DERIVATIVES AND USE THEREOF FOR THE TREATMENT OF CANCER | RAMOT AT TEL-AVIV UNIVERSITY LTD. (IL) | 2013-02-21 | — | — | US | disclosed |
| WO-2011089602-A2 | ALOE-EMODIN DERIVATIVES AND USE THEREOF FOR THE TREATMENT OF CANCER | RAMOT AT TEL-AVIV UNIVERSITY LTD. (IL) | 2011-07-28 | — | — | WO | disclosed |