⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9068318 | 0.74 | — | — | |
| SCHEMBL27318202 | 0.60 | — | — | |
| SCHEMBL27741981 | 0.59 | — | — | |
| SCHEMBL2413393 | 0.54 | — | — | |
| SCHEMBL28139836 | 0.53 | — | — | |
| SCHEMBL27507932 | 0.53 | — | — | |
| Hydrochloric Acid SCHEMBL6834925 | 0.52 | — | — | |
| SCHEMBL372598 | 0.52 | — | — | |
| SCHEMBL20484157 | 0.52 | — | — | |
| Bromide SCHEMBL557590 | 0.49 | — | — |
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-7528163-B2 | N,N-Dibutyl-2-[3-(2,2-dimethylpropanoyl)-6-methoxy-1H-indazol-1-yl]acetamide; potassium channel blocker; eye neuroprotectant; hypotensive agent; glaucoma, intraoccular pressure in the eye | MERCK & CO. INC. (US) | 2009-05-05 | — | — | US | disclosed |
| EP-1581503-A4 | OPHTHALMIC COMPOSITIONS FOR TREATING OCULAR HYPERTENSION | MERCK & CO INC (US) | 2007-07-25 | — | — | EP | disclosed |
| US-20060020000-A1 | Ophthalmic compositions for treating ocular hypertension | MERCK SHARP & DOHME CORP. | 2006-01-26 | — | — | US | disclosed |
| EP-1581503-A2 | OPHTHALMIC COMPOSITIONS FOR TREATING OCULAR HYPERTENSION | Merck & Co., Inc. (US) | 2005-10-05 | — | — | EP | disclosed |
| WO-2004043354-A2 | OPHTHALMIC COMPOSITIONS FOR TREATING OCULAR HYPERTENSION | MERCK & CO., INC. (US) | 2004-05-27 | — | — | WO | disclosed |