⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9351010 | 0.83 | — | — | |
| SCHEMBL7910161 | 0.83 | ALDH1A1 (0.35) | — | |
| SCHEMBL689863 | 0.76 | — | — | |
| SCHEMBL18339440 | 0.76 | — | — | |
| SCHEMBL16927544 | 0.74 | — | — | |
| SCHEMBL19812680 | 0.74 | — | — | |
| SCHEMBL3862023 | 0.72 | — | — | |
| SCHEMBL7539723 | 0.72 | — | — | |
| SCHEMBL14836577 | 0.70 | — | — | |
| SCHEMBL42915 | 0.70 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-6916800-B2 | Combination therapy including a matrix metalloproteinase inhibitor and an antineoplastic agent | PFIZER INC (US) | 2005-07-12 | — | — | US | disclosed |
| US-6858598-B1 | Method of using a matrix metalloproteinase inhibitor and one or more antineoplastic agents as a combination therapy in the treatment of neoplasia | G. D. SEARLE & CO. (US) | 2005-02-22 | — | — | US | disclosed |
| EP-1140178-A2 | USE OF A MATRIX METALLAPROTEINASE INHIBITOR AND RADIATION AS A COMBINED TREATMENT OF NEOPLASIA | G.D. SEARLE & CO. (US) | 2001-10-10 | — | — | EP | disclosed |
| WO-2000038717-A2 | USE OF A MATRIX METALLOPROTEINASE INHIBITOR AND RADIATION AS A COMBINED TREATMENT OF NEOPLASIA | G.D. SEARLE & CO. (US) | 2000-07-06 | — | — | WO | disclosed |
| EP-0236872-B1 | HYDROXYL AMINE DERIVATIVES, THEIR PREPARATION AND USE AS MEDICAMENTS | F. HOFFMANN-LA ROCHE AG (CH) | 1992-11-25 | — | — | EP | disclosed |