⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7669410 | 0.65 | — | — | |
| SCHEMBL6582959 | 0.62 | HTR6 (0.40) | — | |
| SCHEMBL6984945 | 0.62 | HTR6 (0.39) | — | |
| SCHEMBL7525942 | 0.59 | — | — | |
| SCHEMBL16530109 | 0.51 | HTR6 (0.39) | — | |
| SCHEMBL22130656 | 0.49 | ELAVL1 (0.49) | — | |
| SCHEMBL8564926 | 0.49 | CRBN (0.52) | — | |
| SCHEMBL26816689 | 0.49 | HTR6 (0.39) | — | |
| SCHEMBL28875610 | 0.49 | HTR6 (0.52) | — | |
| SCHEMBL29179093 | 0.48 | PTGS2 (0.36) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6452015-B2 | FOR TREATMENT OF ANXIETY, PANIC ATTACKS, OBSESSIVE-COMPULSIVE DISORDERS, PHOBIAS, IMPULSIVE DISORDERS, DRUG ABUSE, COGNITIVE DISORDERS, PSYCHOSES, DEPRESSION AND MOOD DISORDERS | LES LABORATOIRES SERVIER (FR) | 2002-09-17 | — | — | US | disclosed |