⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2067060 | 0.72 | CHKA (0.34) | — | |
| SCHEMBL918905 | 0.72 | CHKA (0.39) | — | |
| SCHEMBL15414802 | 0.64 | ALDH1A1 (0.39) | — | |
| SCHEMBL557645 | 0.64 | BCHE (0.39) | — | |
| SCHEMBL15539900 | 0.63 | PIM1 (0.37) | — | |
| SCHEMBL3516828 | 0.63 | SMN1; SMN2 (0.32) | — | |
| SCHEMBL31316014 | 0.63 | MEN1 (0.37) | — | |
| SCHEMBL1671863 | 0.63 | — | — | |
| SCHEMBL15540495 | 0.63 | CYP11B1 (0.36) | — | |
| SCHEMBL22530606 | 0.62 | PRKCQ (0.41) | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9550737-B2 | TNF -α modulating benzimidazoles | UCB BIOPHARMA SPRL (BE) | 2017-01-24 | — | — | US | disclosed |
| US-9475820-B2 | Substituted imidazo[1,2-a]pyrazines as TNF activity modulators | UCB BIOPHARMA SPRL (BE) | 2016-10-25 | — | — | US | disclosed |
| US-20150191482-A1 | Imidazopyrazine Derivatives as Modulators of TNF Activity | UCB BIOPHARMA SPRL (BE) | 2015-07-09 | — | — | US | disclosed |
| US-20150152065-A1 | TNF -Alpha Modulating Benzimidazoles | UCB BIOPHARMA SPRL (BE) | 2015-06-04 | — | — | US | disclosed |
| EP-2872511-A1 | IMIDAZOPYRAZINE DERIVATIVES AS MODULATORS OF TNF ACTIVITY | UCB Biopharma SPRL (BE) | 2015-05-20 | — | — | EP | disclosed |
| EP-2858983-A1 | TNF -ALPHA MODULATING BENZIMIDAZOLES | UCB Biopharma SPRL (BE) | 2015-04-15 | — | — | EP | disclosed |
| WO-2014009296-A1 | IMIDAZOPYRAZINE DERIVATIVES AS MODULATORS OF TNF ACTIVITY | UCB PHARMA S.A. (BE) | 2014-01-16 | — | — | WO | disclosed |
| WO-2013186229-A1 | TNF -ALPHA MODULATING BENZIMIDAZOLES | UCB PHARMA S.A. (BE) | 2013-12-19 | — | — | WO | disclosed |