⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4015422 | 0.76 | — | — | |
| SCHEMBL26360800 | 0.68 | — | — | |
| SCHEMBL2688358 | 0.64 | NOS3 (0.34) | — | |
| SCHEMBL14647728 | 0.64 | — | — | |
| SCHEMBL1052043 | 0.59 | — | — | |
| SCHEMBL4013979 | 0.57 | — | — | |
| SCHEMBL20446710 | 0.57 | — | — | |
| SCHEMBL516443 | 0.56 | NOS3 (0.35) | — | |
| SCHEMBL914170 | 0.55 | — | — | |
| SCHEMBL8107406 | 0.55 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| 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 |