⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9039622 | 0.77 | ALDH1A1 (0.53) | — | |
| SCHEMBL7563183 | 0.75 | KMT2A (0.38) | — | |
| SCHEMBL9345467 | 0.74 | MAPK1 (0.36) | — | |
| SCHEMBL7463127 | 0.74 | ALDH1A1 (0.54) | — | |
| SCHEMBL4685438 | 0.72 | — | — | |
| SCHEMBL7561460 | 0.72 | — | — | |
| SCHEMBL7838204 | 0.72 | — | — | |
| SCHEMBL3752404 | 0.72 | — | — | |
| SCHEMBL11334531 | 0.72 | — | — | |
| SCHEMBL4325251 | 0.72 | ALDH1A1 (0.58) | — |
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-9492436-B2 | Azabenzimidazole derivatives | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2016-11-15 | — | — | US | disclosed |
| US-20150025065-A1 | NEW AZABENZIMIDAZOLE DERIVATIVES | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2015-01-22 | — | — | US | disclosed |
| CN-101671310-A | Compounds and compositions useful as cathepsin s inhibitors | NOVARTIS AG | 2010-03-17 | — | — | CN | disclosed |
| CN-101035768-A | Compounds and compositions as cathepsin S inhibitors | NOVARTIS AG (CH) | 2007-09-12 | — | — | CN | disclosed |
| EP-1077981-B1 | NOVEL CEPHALOSPORIN COMPOUNDS, PROCESSES FOR PREPARATION THEREOF AND ANTIMICROBIAL COMPOSITIONS CONTAINING THE SAME | LG CHEMICAL LTD (KR) | 2002-08-07 | — | — | EP | disclosed |
| EP-1077981-A1 | NOVEL CEPHALOSPORIN COMPOUNDS, PROCESSES FOR PREPARATION THEREOF AND ANTIMICROBIAL COMPOSITIONS CONTAINING THE SAME | LG CHEMICAL LIMITED (KR) | 2001-02-28 | — | — | EP | disclosed |
| WO-1999058535-A1 | NOVEL CEPHALOSPORIN COMPOUNDS, PROCESSES FOR PREPARATION THEREOF AND ANTIMICROBIAL COMPOSITIONS CONTAINING THE SAME | LG CHEMICAL LTD. (KR) | 1999-11-18 | — | — | WO | disclosed |