⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3336089 | 0.82 | LMNA (0.30) | — | |
| SCHEMBL8023425 | 0.80 | TSHR (0.30) | — | |
| SCHEMBL5511496 | 0.80 | — | — | |
| SCHEMBL3415682 | 0.78 | TSHR (0.35) | — | |
| SCHEMBL6078938 | 0.75 | — | — | |
| SCHEMBL3710457 | 0.74 | PIK3CD (0.31) | — | |
| SCHEMBL25381771 | 0.70 | APLNR (0.31) | — | |
| SCHEMBL6423276 | 0.70 | ALDH1A1 (0.33) | — | |
| SCHEMBL14244877 | 0.70 | SOAT1 (0.32) | — | |
| SCHEMBL4921782 | 0.70 | DGAT1 (0.37) | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7582651-B2 | Pyrrolopyridine derivative and use thereof | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2009-09-01 | — | — | US | disclosed |
| US-20060167038-A1 | Pyrrolopyridine derivative and use thereof | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2006-07-27 | — | — | US | disclosed |
| EP-1535922-A1 | PYRROLOPYRIDINE DERIVATIVE AND USE THEREOF | Takeda Pharmaceutical Company Limited (JP) | 2005-06-01 | — | — | EP | disclosed |
| 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 |