⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4750731 | 0.87 | SIGMAR1 (0.31) | — | |
| SCHEMBL4650503 | 0.82 | CYP1A2 (0.37) | — | |
| SCHEMBL6047759 | 0.82 | — | — | |
| SCHEMBL4651530 | 0.80 | MC4R (0.31) | — | |
| SCHEMBL6047779 | 0.77 | PDE10A (0.35) | — | |
| SCHEMBL4693772 | 0.76 | CYP1A2 (0.31) | — | |
| SCHEMBL6047770 | 0.75 | MC4R (0.34) | — | |
| SCHEMBL6047761 | 0.72 | ALDH1A1 (0.43) | — | |
| SCHEMBL6047848 | 0.72 | MC4R (0.47) | — | |
| SCHEMBL6047792 | 0.71 | MC4R (0.36) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20060148805-A1 | Opthalmic compositions for treating ocular hypertension | MERCK SHARP & DOHME CORP. | 2006-07-06 | — | — | US | claimed |
| US-20060148805-A1 | Opthalmic compositions for treating ocular hypertension | MERCK SHARP & DOHME CORP. | 2006-07-06 | — | — | US | disclosed |