⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19506899 | 0.83 | — | — | |
| SCHEMBL71794 | 0.78 | DGAT1 (0.30) | — | |
| SCHEMBL3441160 | 0.77 | TDP1 (0.39) | — | |
| SCHEMBL16651988 | 0.77 | DGAT1 (0.37) | — | |
| SCHEMBL8678717 | 0.77 | ELANE (0.33) | — | |
| SCHEMBL37236 | 0.77 | — | — | |
| SCHEMBL9184847 | 0.77 | — | — | |
| SCHEMBL10012123 | 0.76 | — | — | |
| SCHEMBL18746207 | 0.76 | CYP4F2 (0.35) | — | |
| SCHEMBL814818 | 0.75 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5587374-A | BACTERICIDES TREATING INFECTIONS | GLAXO SPA (IT) | 1996-12-24 | — | — | US | disclosed |
| EP-0495953-B1 | 10-(1-Hydroxyethyl)-11-oxo-1-azatricyclo[7.2.0.0(3,8)]undec-2-ene-2-carboxylic acid esters and a process for preparing thereof | GLAXO SPA (IT) | 1994-06-08 | — | — | EP | disclosed |
| EP-0495953-A1 | 10-(1-Hydoxyethyl)-11-oxo-1-azatricyclo(7.2.0.0(3,8)undec-2-ene-2-carboxylic acid esters and a process for preparing thereof. | GLAXO SPA (IT) | 1992-07-29 | — | — | EP | disclosed |
| WO-1992003437-A1 | 10(1-HYDROXYETHYL)-11-OXO-1-AZATRICYCLO[7.2.0.0.3.8]UNDEC-2-ENE-2-CARBOXYLIC ACID ESTERS AND A PROCESS FOR PREPARING THEREOF | GLAXO S.P.A. (IT) | 1992-03-05 | — | — | WO | disclosed |
| US-4602012-A | Cephalosporin antibiotics | GLAXO GROUP LIMITED (GB) | 1986-07-22 | — | — | US | disclosed |