⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3363801 | 0.70 | — | — | |
| SCHEMBL6323 | 0.67 | — | — | |
| SCHEMBL1823097 | 0.67 | — | — | |
| SCHEMBL8157971 | 0.67 | TSHR (0.50) | — | |
| SCHEMBL891350 | 0.67 | TSHR (0.50) | — | |
| SCHEMBL3363804 | 0.67 | — | — | |
| SCHEMBL253726 | 0.67 | — | — | |
| Dichloropropane SCHEMBL21378640 | 0.67 | — | — | |
| SCHEMBL9318839 | 0.65 | — | — | |
| SCHEMBL15142570 | 0.63 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0576603-A1 | PHARMACEUTICAL COMBINATION FOR THE TREATMENT OF PROSTATIC HYPERPLASIA, CONTAINING A 5 ALPHA-REDUCTASE INHIBITOR AND AN ANTIANDROGEN | MERCK & CO. INC. (US) | 1994-01-05 | — | — | EP | disclosed |