⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4309164 | 0.89 | MTNR1A (0.45) | — | |
| SCHEMBL13912903 | 0.89 | KDM4E (0.49) | — | |
| SCHEMBL4315069 | 0.87 | MTNR1A (0.43) | — | |
| SCHEMBL4315501 | 0.86 | MTNR1A (0.43) | — | |
| SCHEMBL4309206 | 0.86 | MTNR1A (0.43) | — | |
| SCHEMBL4312675 | 0.86 | — | — | |
| SCHEMBL4307287 | 0.85 | MTNR1A (0.42) | — | |
| SCHEMBL4321767 | 0.84 | MTNR1A (0.43) | — | |
| SCHEMBL4309035 | 0.84 | MTNR1A (0.46) | — | |
| SCHEMBL4309625 | 0.83 | TSPO (0.43) | — |
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-20090062280-A1 | Ophthalmic Compositions for Treating Ocular Hypertension | MERCK SHARP & DOHME CORP. | 2009-03-05 | — | — | US | disclosed |
| US-20090062280-A1 | Ophthalmic Compositions for Treating Ocular Hypertension | MERCK SHARP & DOHME CORP. | 2009-03-05 | — | — | US | disclosed |
| US-20090062280-A1 | Ophthalmic Compositions for Treating Ocular Hypertension | MERCK SHARP & DOHME CORP. | 2009-03-05 | — | — | US | disclosed |
| WO-2008030390-A2 | OPHTHALMIC COMPOSITIONS FOR TREATING OCULAR HYPERTENSION | MERCK & CO., INC. (US) | 2008-03-13 | — | — | WO | disclosed |
| WO-2007108968-A2 | OPHTHALMIC COMPOSITIONS FOR TREATING OCULAR HYPERTENSION | MERCK & CO., INC. (US) | 2007-09-27 | — | — | WO | disclosed |