⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13643929 | 0.84 | KDM4E (0.32) | — | |
| SCHEMBL25522286 | 0.79 | — | — | |
| SCHEMBL20350217 | 0.77 | CYP1A2 (0.37) | — | |
| SCHEMBL1035041 | 0.76 | MITF (0.31) | — | |
| SCHEMBL10387752 | 0.74 | CYP1A2 (0.41) | — | |
| SCHEMBL7526068 | 0.74 | CYP1A2 (0.41) | — | |
| SCHEMBL12084177 | 0.74 | MITF (0.31) | — | |
| SCHEMBL24923702 | 0.74 | CNR2 (0.32) | — | |
| SCHEMBL26327806 | 0.73 | — | — | |
| SCHEMBL14646591 | 0.71 | CYP1A2 (0.39) | — |
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-10221191-B2 | Compounds for the treatment of cancer and inflammatory disease | SHY Therapeutics LLC | 2019-03-05 | — | — | US | disclosed |
| US-20170174699-A1 | COMPOUNDS FOR THE TREATMENT OF CANCER AND INFLAMMATORY DISEASE | SHY Therapeutics LLC | 2017-06-22 | — | — | US | disclosed |