⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15309860 | 0.85 | TSHR (0.50) | — | |
| SCHEMBL1426661 | 0.77 | — | — | |
| SCHEMBL7547668 | 0.77 | — | — | |
| SCHEMBL13613124 | 0.77 | — | — | |
| SCHEMBL1343930 | 0.76 | — | — | |
| SCHEMBL21424233 | 0.76 | — | — | |
| SCHEMBL1342663 | 0.76 | — | — | |
| Ammonia Solution, Strong SCHEMBL3288007 | 0.74 | — | — | |
| SCHEMBL4849946 | 0.73 | — | — | |
| SCHEMBL2706039 | 0.71 | TSHR (0.44) | — |
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-20170115303-A1 | CYSTEINE REACTIVE PROBES AND USES THEREOF | THE SCRIPPS RESEARCH INSTITUTE | 2017-04-27 | — | — | US | disclosed |
| US-20120157404-A1 | ANTIVIRAL COMPOUNDS | GILEAD SCIENCES, INC. (US) | 2012-06-21 | — | — | US | disclosed |