⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL31323872 | 0.85 | CHRNB2 (0.41) | — | |
| SCHEMBL29033711 | 0.79 | CHRNA4 (0.37) | — | |
| SCHEMBL1906985 | 0.79 | CHRNA4 (0.64) | — | |
| SCHEMBL18493474 | 0.79 | HSD11B1 (0.50) | — | |
| SCHEMBL31348284 | 0.79 | HSD11B1 (0.56) | — | |
| Hydrochloric Acid SCHEMBL745134 | 0.77 | CHRNA4 (0.61) | — | |
| SCHEMBL17284216 | 0.77 | HRH4 (0.41) | — | |
| SCHEMBL3401118 | 0.77 | CHRNA4 (0.35) | — | |
| SCHEMBL30268794 | 0.77 | CHRNB2 (0.37) | — | |
| SCHEMBL31275861 | 0.76 | CHRNB2 (0.62) | — |
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-12240862-B2 | Inhibitors of peptidylarginine deiminases | GILEAD SCIENCES, INC. (US) | 2025-03-04 | — | — | US | disclosed |
| CN-115989225-A | Imidazole-pyrazole derivatives as antibacterial agents | 豪夫迈·罗氏有限公司 | 2023-04-18 | — | — | CN | disclosed |
| EP-1931633-A2 | DERIVATIVES OF 3-AZABICYCLO[3.1.0]HEXANE AS DIPEPTIDYL PEPTIDASE-IV INHIBITORS | Ranbaxy Laboratories Limited (IN) | 2008-06-18 | — | — | EP | disclosed |
| WO-2007029086-A2 | DERIVATIVES OF 3-AZABICYCLO[3.1.0]HEXANE AS DIPEPTIDYL PEPTIDASE-IV INHIBITORS | RANBAXY LABORATORIES LIMITED (IN) | 2007-03-15 | — | — | WO | disclosed |