⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7565117 | 1.00 | — | — | |
| SCHEMBL13453353 | 1.00 | — | — | |
| SCHEMBL22219451 | 0.82 | AOC3 (0.30) | — | |
| SCHEMBL13452816 | 0.80 | TSHR (0.32) | — | |
| SCHEMBL19936136 | 0.80 | TSHR (0.32) | — | |
| SCHEMBL24809801 | 0.77 | — | — | |
| SCHEMBL21897308 | 0.75 | — | — | |
| SCHEMBL21143184 | 0.75 | — | — | |
| SCHEMBL12841326 | 0.75 | — | — | |
| SCHEMBL16350189 | 0.75 | TSHR (0.33) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2326180-B1 | ANTIFUNGAL AGENTS | MERCK SHARP & DOHME (US) | 2013-10-16 | — | — | EP | disclosed |
| EP-1255738-B1 | GONADOTROPIN-RELEASING HORMONE RECEPTOR ANTAGONISTS AND METHODS RELATING THERETO | NEUROCRINE BIOSCIENCES INC (US) | 2012-03-07 | — | — | EP | disclosed |