⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL31540552 | 0.73 | — | — | |
| SCHEMBL17228491 | 0.73 | ALDH1A1 (0.36) | — | |
| SCHEMBL27349243 | 0.68 | — | — | |
| SCHEMBL17545755 | 0.67 | HTT (0.32) | — | |
| SCHEMBL700675 | 0.63 | — | — | |
| SCHEMBL3548684 | 0.62 | MAPT (0.35) | — | |
| SCHEMBL27495564 | 0.62 | — | — | |
| SCHEMBL16566844 | 0.61 | — | — | |
| SCHEMBL655223 | 0.61 | — | — | |
| SCHEMBL17156490 | 0.61 | — | — |
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-7626056-B2 | 2,4-Dichloro-N-(4-cyclopropylmethanesulfonyl-1-cyclopropylmethylcyclohexyl-methyl) benzamide; glutamatergic neurotransmission dysfunction and diseases; dementia; antidepressants; learning enhancement; cognition activators; attention deficit disorders; autism; eating disorders; anxiolytic agents | MERCK SHARP & DOHME LIMITED (GB) | 2009-12-01 | — | — | US | disclosed |
| US-20060276655-A1 | Cyclohexanesulfonyl derivatives as GlyT1 inhibitors to treat schizophrenia | MERCK SHARP & DOHME (UK) LIMITED (GB) | 2006-12-07 | — | — | US | disclosed |