⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18404067 | 0.76 | — | — | |
| SCHEMBL24930875 | 0.73 | — | — | |
| SCHEMBL20837468 | 0.71 | — | — | |
| SCHEMBL18542600 | 0.70 | — | — | |
| SCHEMBL24161532 | 0.69 | — | — | |
| SCHEMBL24930963 | 0.67 | — | — | |
| SCHEMBL24581522 | 0.67 | — | — | |
| SCHEMBL13514661 | 0.67 | — | — | |
| SCHEMBL24339450 | 0.66 | — | — | |
| SCHEMBL18443483 | 0.65 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2018013213-A1 | COMPOUNDS FOR REDUCING C-MYC IN C-MYC OVEREXPRESSING CANCERS | THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) | 2018-01-18 | — | — | WO | disclosed |