⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5745511 | 0.88 | GNAI3 (0.32) | — | |
| SCHEMBL4261397 | 0.73 | SMN1; SMN2 (0.44) | — | |
| SCHEMBL4440743 | 0.72 | CTSK (0.33) | — | |
| SCHEMBL12706509 | 0.70 | — | — | |
| SCHEMBL12706434 | 0.70 | — | — | |
| SCHEMBL12706507 | 0.70 | — | — | |
| SCHEMBL28853721 | 0.68 | — | — | |
| SCHEMBL4058405 | 0.68 | KEAP1 (0.33) | — | |
| SCHEMBL1934761 | 0.68 | KEAP1 (0.33) | — | |
| SCHEMBL3751257 | 0.68 | KEAP1 (0.33) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1729754-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) | 2006-12-13 | — | — | EP | disclosed |
| 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 |