⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13647266 | 0.84 | TSHR (0.38) | — | |
| Ammonia Solution, Strong SCHEMBL31304789 | 0.82 | TSHR (0.36) | — | |
| SCHEMBL979013 | 0.81 | TSHR (0.35) | — | |
| SCHEMBL980018 | 0.81 | TSHR (0.35) | — | |
| SCHEMBL1344292 | 0.81 | TSHR (0.35) | — | |
| SCHEMBL2473038 | 0.80 | TSHR (0.32) | — | |
| SCHEMBL3404696 | 0.75 | TSHR (0.32) | — | |
| SCHEMBL5986989 | 0.75 | TSHR (0.50) | — | |
| SCHEMBL2473035 | 0.75 | TSHR (0.32) | — | |
| SCHEMBL7601923 | 0.75 | TSHR (0.50) | — |
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-20090318728-A1 | PROCESSES FOR PREPARING PRODRUGS OF GABAPENTIN AND INTERMEDIATES THEREOF | TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) | 2009-12-24 | — | — | US | disclosed |