⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4408680 | 0.79 | MEN1 (0.32) | — | |
| Ammonia Solution, Strong SCHEMBL28609530 | 0.78 | MEN1 (0.31) | — | |
| SCHEMBL15486172 | 0.76 | NAALAD2 (0.32) | — | |
| SCHEMBL16100071 | 0.75 | MEN1 (0.34) | — | |
| SCHEMBL4565384 | 0.75 | MEN1 (0.34) | — | |
| SCHEMBL21804756 | 0.68 | — | — | |
| SCHEMBL24570975 | 0.68 | ALDH1A1 (0.46) | — | |
| SCHEMBL469785 | 0.68 | ALDH1A1 (0.34) | — | |
| SCHEMBL16334088 | 0.68 | ALDH1A1 (0.33) | — | |
| SCHEMBL16317409 | 0.68 | NAALAD2 (0.38) | — |
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-9919055-B2 | Sugar-linker-drug conjugates | ARIZONA BOARD OF REGENTS ON BEHALF OF ARIZONA STATE UNIVERSITY (US) | 2018-03-20 | — | — | US | disclosed |
| US-20160045611-A1 | SUGAR-LINKER-DRUG CONJUGATES | NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT | 2016-02-18 | — | — | US | disclosed |
| US-20160038615-A1 | SACCHARIDE CONJUGATES | NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT | 2016-02-11 | — | — | US | disclosed |