⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3540658 | 0.72 | SLC6A9 (0.32) | — | |
| SCHEMBL3548002 | 0.69 | SLC6A9 (0.31) | — | |
| SCHEMBL3543709 | 0.58 | SLC6A9 (0.40) | — | |
| SCHEMBL3538540 | 0.57 | SLC6A9 (0.44) | — | |
| SCHEMBL3538535 | 0.57 | SLC6A9 (0.44) | — | |
| SCHEMBL4722260 | 0.56 | SLC6A9 (0.34) | — | |
| SCHEMBL19381758 | 0.55 | JAK2 (0.32) | — | |
| SCHEMBL14820410 | 0.54 | JAK2 (0.33) | — | |
| SCHEMBL20320054 | 0.53 | APLNR (0.34) | — | |
| SCHEMBL16600364 | 0.53 | APLNR (0.34) | — |
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-7851638-B2 | Cyclohexanesulfonyl derivatives as GLYT1 inhibitors to treat schizophrenia | MERCK SHARP & DOHME LIMITED (GB) | 2010-12-14 | — | — | US | disclosed |
| US-20100029726-A1 | CYCLOHEXANESULFONYL DERIVATIVES AS GLYT1 INHIBITORS TO TREAT SCHIZOPHRENIA | MERCK SHARP & DOHME (UK) LIMITED (GB) | 2010-02-04 | — | — | US | disclosed |