⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24224382 | 0.82 | — | — | |
| SCHEMBL14654869 | 0.82 | — | — | |
| SCHEMBL3852096 | 0.69 | — | — | |
| SCHEMBL7992372 | 0.69 | — | — | |
| SCHEMBL6912912 | 0.69 | — | — | |
| SCHEMBL458580 | 0.69 | — | — | |
| SCHEMBL7998165 | 0.65 | — | — | |
| SCHEMBL7998093 | 0.65 | — | — | |
| SCHEMBL25018253 | 0.65 | — | — | |
| SCHEMBL6911361 | 0.65 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2005060949-A2 | SELECTIVE NOREPINEPHRINE REUPTAKE INHIBITORS FOR THE TREATMENT OF HOT FLASHES, IMPULSE CONTROL DISORDERS AND PERSONALITY CHANGE DUE TO A GENERAL MEDICAL CONDITION | ELI LILLY AND COMPANY (US) | 2005-07-07 | — | — | WO | disclosed |