⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2473657 | 1.00 | — | — | |
| SCHEMBL2415178 | 1.00 | — | — | |
| SCHEMBL2415177 | 0.86 | GSR (0.44) | — | |
| SCHEMBL2413228 | 0.86 | GSR (0.44) | — | |
| SCHEMBL2413235 | 0.86 | GSR (0.44) | — | |
| SCHEMBL2408769 | 0.86 | GSR (0.44) | — | |
| SCHEMBL6407220 | 0.76 | SMN1; SMN2 (0.33) | — | |
| SCHEMBL6407214 | 0.76 | SMN1; SMN2 (0.33) | — | |
| SCHEMBL12319718 | 0.74 | — | — | |
| SCHEMBL10158385 | 0.69 | GSR (0.46) | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2369924-B1 | NITROOXY CYCLOALKANE DERIVATIVES | MERCK SHARP & DOHME (US) | 2014-11-26 | — | — | EP | claimed |
| US-20110230532-A1 | NITROOXY CYCLOALKANE DERIVATIVES | MERCK SHARP & DOHME LLC | 2011-09-22 | — | — | US | claimed |
| EP-2369924-B1 | NITROOXY CYCLOALKANE DERIVATIVES | MERCK SHARP & DOHME (US) | 2014-11-26 | — | — | EP | disclosed |
| US-8530521-B2 | Nitrooxy cycloalkane derivatives | MERCK SHARP & DOHME CORP. (US) | 2013-09-10 | — | — | US | disclosed |
| US-8530521-B2 | Nitrooxy cycloalkane derivatives | MERCK SHARP & DOHME CORP. (US) | 2013-09-10 | — | — | US | disclosed |
| US-20110230532-A1 | NITROOXY CYCLOALKANE DERIVATIVES | MERCK SHARP & DOHME LLC | 2011-09-22 | — | — | US | disclosed |
| US-20110230532-A1 | NITROOXY CYCLOALKANE DERIVATIVES | MERCK SHARP & DOHME LLC | 2011-09-22 | — | — | US | disclosed |