⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1420014 | 0.69 | HTR3E (0.30) | — | |
| SCHEMBL3193719 | 0.64 | — | — | |
| SCHEMBL3184047 | 0.61 | — | — | |
| SCHEMBL2356063 | 0.60 | HIF1A (0.42) | — | |
| SCHEMBL9485285 | 0.60 | — | — | |
| SCHEMBL8927405 | 0.60 | — | — | |
| SCHEMBL1239517 | 0.58 | HTR3E (0.30) | — | |
| SCHEMBL9312376 | 0.58 | — | — | |
| SCHEMBL3824518 | 0.58 | — | — | |
| SCHEMBL7052608 | 0.58 | HIF1A (0.50) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1696931-B1 | AMINO SUBSTITUTED DIARYL[A,D]CYCLOHEPTENE ANALOGS AS MUSCARINIC AGONISTS AND METHODS OF TREATMENT OF NEUROPSYCHIATRIC DISORDERS | ACADIA PHARM INC (US) | 2009-03-25 | — | — | EP | disclosed |