⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2581232 | 0.78 | — | — | |
| SCHEMBL19593887 | 0.65 | — | — | |
| SCHEMBL419051 | 0.65 | — | — | |
| SCHEMBL793593 | 0.65 | — | — | |
| Thiosulfuric Acid SCHEMBL7193473 | 0.63 | — | — | |
| SCHEMBL15374816 | 0.61 | — | — | |
| Thiosulfuric Acid SCHEMBL11806849 | 0.60 | — | — | |
| SCHEMBL3476417 | 0.60 | — | — | |
| SCHEMBL17422749 | 0.60 | — | — | |
| SCHEMBL6064216 | 0.60 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20170173572-A1 | CHIRAL LIGAND-BASED METAL-ORGANIC FRAMEWORKS FOR BROAD-SCOPE ASYMMETRIC CATALYSIS | NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT | 2017-06-22 | — | — | US | disclosed |