⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7743918 | 1.00 | — | — | |
| SCHEMBL7743917 | 1.00 | — | — | |
| SCHEMBL3639972 | 1.00 | — | — | |
| SCHEMBL12505719 | 0.77 | — | — | |
| SCHEMBL12505720 | 0.77 | — | — | |
| SCHEMBL24331905 | 0.71 | CA1 (0.30) | — | |
| SCHEMBL6415653 | 0.71 | CA1 (0.30) | — | |
| SCHEMBL3075840 | 0.60 | — | — | |
| SCHEMBL25057979 | 0.60 | — | — | |
| SCHEMBL9473501 | 0.55 | — | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2001051494-A1 | INHIBITORS OF PRENYL-PROTEIN TRANSFERASE | MERCK & CO., INC. (US) | 2001-07-19 | — | — | WO | claimed |
| EP-1444209-A4 | MITOTIC KINESIN INHIBITORS | MERCK & CO INC (US) | 2005-02-16 | — | — | EP | disclosed |
| EP-1496981-A2 | METHOD OF TREATING CANCER | Merck & Co., Inc. (US) | 2005-01-19 | — | — | EP | disclosed |
| EP-1444209-A2 | MITOTIC KINESIN INHIBITORS | Merck & Co., Inc. (US) | 2004-08-11 | — | — | EP | disclosed |
| WO-2003084473-A2 | METHOD OF TREATING CANCER | MERCK & CO., INC. (US) | 2003-10-16 | — | — | WO | disclosed |
| WO-2003039460-A2 | MITOTIC KINESIN INHIBITORS | MERCK & CO., INC. (US) | 2003-05-15 | — | — | WO | disclosed |
| WO-2000059930-A1 | A METHOD OF TREATING CANCER | MERCK & CO., INC. (US) | 2000-10-12 | — | — | WO | disclosed |