⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7525799 | 0.62 | — | — | |
| SCHEMBL7669407 | 0.59 | — | — | |
| SCHEMBL6582959 | 0.55 | HTR6 (0.40) | — | |
| SCHEMBL16530109 | 0.51 | HTR6 (0.39) | — | |
| SCHEMBL22130656 | 0.49 | ELAVL1 (0.49) | — | |
| SCHEMBL8564926 | 0.49 | CRBN (0.52) | — | |
| SCHEMBL26816689 | 0.49 | HTR6 (0.39) | — | |
| SCHEMBL3217384 | 0.48 | HTR6 (0.45) | — | |
| SCHEMBL29179093 | 0.48 | PTGS2 (0.36) | — | |
| SCHEMBL29512049 | 0.48 | HTR6 (0.38) | — |
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-6420413-B2 | 1-(6-((DIMETHYLAMINO)METHYL)-1-METHYL-2,3,5,6-TETRAHYDRO-1H -CYCLOBUTA(F) INDOL-6-YL)CYCLOHEXANOL, FOR EXAMPLE; TREATING PSYCHOLOGICAL DISORDERS SUCH AS DEPRESSION, PANIC ATTACKS, PHOBIAS, DRUG ABUSE, AS WELL AS OBESITY AND BULEMIA | LES LABORATORIES SERVIER (FR) | 2002-07-16 | — | — | US | disclosed |
| US-20020019380-A1 | Heterocycloalkylbenzocyclobutane and heteroarylbenzocyclobutane compounds | LES LABORATOIRES SERVIER (FR) | 2002-02-14 | — | — | US | disclosed |