⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4307737 | 0.85 | — | — | |
| SCHEMBL4310494 | 0.84 | MC4R (0.42) | — | |
| SCHEMBL4311710 | 0.82 | AKR1B10 (0.49) | — | |
| SCHEMBL4308946 | 0.75 | — | — | |
| SCHEMBL4310387 | 0.75 | — | — | |
| SCHEMBL4314479 | 0.75 | SCD (0.46) | — | |
| SCHEMBL21864901 | 0.74 | TDP1 (0.52) | — | |
| Hydrochloric Acid SCHEMBL20299617 | 0.73 | TDP1 (0.51) | — | |
| SCHEMBL4312795 | 0.72 | SCD (0.43) | — | |
| SCHEMBL4311048 | 0.71 | SCD (0.51) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20090062280-A1 | Ophthalmic Compositions for Treating Ocular Hypertension | MERCK SHARP & DOHME CORP. | 2009-03-05 | — | — | US | disclosed |
| EP-2004193-A2 | OPHTHALMIC COMPOSITIONS FOR TREATING OCULAR HYPERTENSION | Merck & Co., Inc. (US) | 2008-12-24 | — | — | EP | disclosed |
| WO-2007108968-A2 | OPHTHALMIC COMPOSITIONS FOR TREATING OCULAR HYPERTENSION | MERCK & CO., INC. (US) | 2007-09-27 | — | — | WO | disclosed |