⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8689576 | 0.95 | — | — | |
| SCHEMBL8690182 | 0.85 | — | — | |
| SCHEMBL8689571 | 0.80 | — | — | |
| SCHEMBL8689611 | 0.79 | — | — | |
| SCHEMBL8690178 | 0.78 | TRPM8 (0.40) | — | |
| SCHEMBL8690186 | 0.78 | TRPM8 (0.40) | — | |
| SCHEMBL7912503 | 0.74 | GNRHR (0.72) | — | |
| SCHEMBL8690295 | 0.74 | — | — | |
| SCHEMBL7908455 | 0.73 | GNRHR (0.54) | — | |
| SCHEMBL8689568 | 0.72 | GABRA1 (0.39) | — |
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-5756507-A | TREATING SEX HORMONE RELATED DISORDERS | MERCK & CO., INC. (US) | 1998-05-26 | — | — | US | disclosed |