⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7751868 | 0.78 | — | — | |
| SCHEMBL29499886 | 0.77 | TDP1 (0.50) | — | |
| SCHEMBL29499897 | 0.77 | TDP1 (0.50) | — | |
| SCHEMBL5797780 | 0.77 | TDP1 (0.50) | — | |
| SCHEMBL29499889 | 0.77 | TDP1 (0.50) | — | |
| SCHEMBL29499910 | 0.76 | TDP1 (0.48) | — | |
| SCHEMBL29499904 | 0.76 | TDP1 (0.48) | — | |
| SCHEMBL27886481 | 0.70 | TDP1 (0.47) | — | |
| SCHEMBL10056911 | 0.70 | TDP1 (0.47) | — | |
| SCHEMBL22686842 | 0.70 | TDP1 (0.47) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6028201-A | ANTITUMOR AGENTS TREATING CANCER INCLUDING COLORECTAL CARCINOMA, EXOCRINE PANCREATIC CARCINOMA, MYELOID LEUKEMIAS AND NEUROLOGICAL TUMORS | MERCK & CO., INC. (US) | 2000-02-22 | — | — | US | disclosed |
| EP-0880320-A4 | INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE | MERCK & CO INC (US) | 1999-06-16 | — | — | EP | disclosed |
| EP-0880320-A1 | INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE | Merck & Co., Inc. (US) | 1998-12-02 | — | — | EP | disclosed |
| WO-1997027752-A1 | INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE | MERCK & CO., INC. (US) | 1997-08-07 | — | — | WO | disclosed |