⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9250719 | 0.86 | — | — | |
| SCHEMBL6538198 | 0.83 | — | — | |
| SCHEMBL6560473 | 0.79 | PTGER2 (0.36) | — | |
| SCHEMBL27439086 | 0.78 | — | — | |
| SCHEMBL4736421 | 0.76 | — | — | |
| SCHEMBL6538641 | 0.75 | — | — | |
| SCHEMBL21633953 | 0.75 | SMN1; SMN2 (0.34) | — | |
| SCHEMBL14091209 | 0.74 | — | — | |
| SCHEMBL27439219 | 0.72 | — | — | |
| SCHEMBL17070849 | 0.71 | AKR1C3 (0.30) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20100062472-A1 | BIOMARKERS FOR DIAGNOSING MULTIPLE SCLEROSIS, AND METHODS THEREOF | PHENOMENOME DISCOVERIES INC. (CA) | 2010-03-11 | — | — | US | disclosed |
| US-20100062472-A1 | BIOMARKERS FOR DIAGNOSING MULTIPLE SCLEROSIS, AND METHODS THEREOF | PHENOMENOME DISCOVERIES INC. (CA) | 2010-03-11 | — | — | US | disclosed |
| US-7598417-B2 | Analgesics; muscular disorders; diarrhea | ALLERGAN, INC. (US) | 2009-10-06 | — | — | US | disclosed |
| US-20080255239-A1 | SUBSTITUTED FLUOROETHYL UREAS AS ALPHA 2 ADRENERGIC AGENTS | ALLERGAN, INC. | 2008-10-16 | — | — | US | disclosed |