⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7276 | 0.97 | — | — | |
| SCHEMBL2454083 | 0.97 | CYP2A6 (0.41) | — | |
| SCHEMBL27726998 | 0.94 | — | — | |
| SCHEMBL28937810 | 0.94 | — | — | |
| Ethyne SCHEMBL29270243 | 0.91 | — | — | |
| Cyanide SCHEMBL28198353 | 0.88 | — | — | |
| Thiophene SCHEMBL8134391 | 0.86 | CYP2A6 (0.37) | — | |
| SCHEMBL910698 | 0.86 | — | — | |
| Phenol SCHEMBL27589824 | 0.78 | TDP1 (0.48) | — | |
| Ether SCHEMBL27660655 | 0.78 | ELANE (0.35) | — |
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-0904076-A1 | INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE | Merck & Co., Inc. (US) | 1999-03-31 | — | — | EP | disclosed |
| US-5874452-A | Biheteroaryl inhibitors of farnesyl-protein transferase | MERCK & CO., INC. (US) | 1999-02-23 | — | — | US | disclosed |
| WO-1997036585-A1 | INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE | MERCK & CO., INC. (US) | 1997-10-09 | — | — | WO | disclosed |