⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL56570 | 0.92 | — | — | |
| Hydrochloric Acid SCHEMBL3487304 | 0.90 | — | — | |
| SCHEMBL44180 | 0.87 | TSHR (0.36) | — | |
| Hydrochloric Acid SCHEMBL120845 | 0.84 | TSHR (0.35) | — | |
| Hydrochloric Acid SCHEMBL432534 | 0.84 | TSHR (0.35) | — | |
| SCHEMBL43895 | 0.84 | SPHK2 (0.36) | — | |
| SCHEMBL44286 | 0.84 | SPHK2 (0.36) | — | |
| Hydrochloric Acid SCHEMBL3613960 | 0.81 | SPHK2 (0.35) | — | |
| SCHEMBL2287942 | 0.81 | — | — | |
| Hydrochloric Acid SCHEMBL988664 | 0.81 | SPHK2 (0.35) | — |
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-5395924-A | Oligosaccharide or glycopeptide bound to lectin and conjugated with cell binding agent, improved targeting of cells for cytolysis | DANA-FARBER CANCER INSTITUTE, INC. (US) | 1995-03-07 | — | — | US | disclosed |
| US-5239062-A | Blocked lectins, methods and affinity support for making same using affinity ligands, and method of killing selected cell populations having reduced nonselective cytotoxicity | DANA-FARBER CANCER INSTITUTE, INC. (US) | 1993-08-24 | — | — | US | disclosed |