⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2385226 | 0.74 | — | — | |
| SCHEMBL9710956 | 0.74 | — | — | |
| SCHEMBL5166877 | 0.72 | — | — | |
| SCHEMBL5255515 | 0.69 | MAPK1 (0.48) | — | |
| SCHEMBL1133486 | 0.67 | — | — | |
| SCHEMBL3163799 | 0.67 | — | — | |
| SCHEMBL13380873 | 0.65 | CA1 (0.35) | — | |
| SCHEMBL25541501 | 0.65 | LMNA (0.32) | — | |
| SCHEMBL4067490 | 0.65 | — | — | |
| SCHEMBL125895 | 0.65 | — | — |
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-6180792-B1 | DRUGS, ANTISECRETORY AGENTS AND HORMONE INHIBITORS FOR LH-RH | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 2001-01-30 | — | — | US | disclosed |