⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL9531437 | 0.98 | — | — | |
| SCHEMBL6571079 | 0.91 | — | — | |
| SCHEMBL8543341 | 0.89 | — | — | |
| SCHEMBL7802981 | 0.87 | TSHR (0.30) | — | |
| Hydrochloric Acid SCHEMBL9670896 | 0.85 | — | — | |
| SCHEMBL6958918 | 0.84 | TDP1 (0.34) | — | |
| SCHEMBL6457920 | 0.84 | HRH1 (0.37) | — | |
| SCHEMBL7846190 | 0.81 | KEAP1 (0.41) | — | |
| SCHEMBL8547280 | 0.81 | KIF11 (0.39) | — | |
| SCHEMBL4968480 | 0.81 | CTSK (0.36) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1090012-A4 | INHIBITORS OF PRENYL-PROTEIN TRANSFERASE | MERCK & CO INC (US) | 2005-04-06 | — | — | EP | disclosed |
| EP-1090012-A1 | INHIBITORS OF PRENYL-PROTEIN TRANSFERASE | Merck & Co., Inc. (US) | 2001-04-11 | — | — | EP | disclosed |
| WO-2000001702-A1 | INHIBITORS OF PRENYL-PROTEIN TRANSFERASE | MERCK & CO., INC. (US) | 2000-01-13 | — | — | WO | disclosed |