⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5660573 | 0.77 | HDAC2 (0.31) | — | |
| Trifluoroacetic Acid SCHEMBL17595021 | 0.74 | TSHR (0.33) | — | |
| SCHEMBL3391017 | 0.72 | KDM5B (0.33) | — | |
| SCHEMBL2301074 | 0.71 | — | — | |
| SCHEMBL2353807 | 0.70 | KMT2A (0.46) | — | |
| Hydrochloric Acid SCHEMBL10438113 | 0.70 | BLM (0.41) | — | |
| SCHEMBL1017726 | 0.70 | — | — | |
| Hydrochloric Acid SCHEMBL17597680 | 0.70 | BLM (0.41) | — | |
| SCHEMBL2429084 | 0.70 | — | — | |
| SCHEMBL5139254 | 0.69 | RAB9A (0.41) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1893566-A1 | CYCLOHEXANESULFONYL DERIVATIVES AS GLYT1 INHIBITORS TO TREAT SCHIZOPHRENIA | MERCK SHARP & DOHME LTD. (GB) | 2008-03-05 | — | — | EP | claimed |
| WO-2006131711-A1 | CYCLOHEXANESULFONYL DERIVATIVES AS GLYT1 INHIBITORS TO TREAT SCHIZOPHRENIA | MERCK SHARP & DOHME LIMITED (GB) | 2006-12-14 | — | — | WO | claimed |