⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7551488 | 0.82 | CYP2C19 (0.38) | — | |
| SCHEMBL4001422 | 0.81 | CYP2C19 (0.33) | — | |
| SCHEMBL3997774 | 0.80 | — | — | |
| SCHEMBL7545353 | 0.80 | PKM (0.30) | — | |
| SCHEMBL7620230 | 0.78 | TDP1 (0.33) | — | |
| SCHEMBL21296203 | 0.72 | — | — | |
| SCHEMBL114775 | 0.72 | EPHX1 (0.39) | — | |
| SCHEMBL5330017 | 0.71 | ALDH1A1 (0.33) | — | |
| SCHEMBL11900984 | 0.69 | FFAR3 (0.40) | — | |
| SCHEMBL1471434 | 0.69 | CYP19A1 (0.33) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1158982-A4 | INHIBITORS OF PRENYL-PROTEIN TRANSFERASE | MERCK & CO INC (US) | 2002-06-12 | — | — | EP | disclosed |
| US-6376496-B1 | TREATMENT OF CANCER | MERCK & CO., INC. | 2002-04-23 | — | — | US | disclosed |
| EP-1158982-A2 | INHIBITORS OF PRENYL-PROTEIN TRANSFERASE | Merck & Co., Inc. (US) | 2001-12-05 | — | — | EP | disclosed |
| WO-2001022963-A1 | METHOD OF PREVENTING OSTEOPOROSIS | MERCK & CO., INC. (US) | 2001-04-05 | — | — | WO | disclosed |
| WO-2000052134-A2 | INHIBITORS OF PRENYL-PROTEIN TRANSFERASE | MERCK & CO., INC. (US) | 2000-09-08 | — | — | WO | disclosed |