⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5767455 | 1.00 | — | — | |
| SCHEMBL13827693 | 0.84 | — | — | |
| SCHEMBL29781036 | 0.81 | NAMPT (0.32) | — | |
| SCHEMBL26444547 | 0.80 | — | — | |
| Hydrochloric Acid SCHEMBL30426092 | 0.79 | NAMPT (0.31) | — | |
| SCHEMBL17190112 | 0.73 | — | — | |
| SCHEMBL30864051 | 0.73 | — | — | |
| SCHEMBL12482450 | 0.73 | TSHR (0.45) | — | |
| Hydrochloric Acid SCHEMBL15777349 | 0.72 | — | — | |
| SCHEMBL15188955 | 0.72 | KMT2A (0.35) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1286967-B1 | CYCLOHEXANE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS | MERCK SHARP & DOHME (GB) | 2006-09-27 | — | — | EP | disclosed |
| US-7105507-B2 | Cyclohexane derivatives and their use as therapeutic agents | MERCK SHARP & DOHME LIMITED (GB) | 2006-09-12 | — | — | US | disclosed |
| US-20030236250-A1 | Cyclohexane derivatives and their use as therapeutic agents | MERCK SHARP & DOHME LTD. (GB) | 2003-12-25 | — | — | US | disclosed |