⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL25308474 | 0.76 | — | — | |
| SCHEMBL16781846 | 0.76 | — | — | |
| Hydrochloric Acid SCHEMBL5013629 | 0.74 | SLC6A3 (0.38) | — | |
| SCHEMBL26259337 | 0.72 | — | — | |
| SCHEMBL5539852 | 0.71 | PTGDR2 (0.46) | — | |
| SCHEMBL21737711 | 0.69 | — | — | |
| SCHEMBL2611831 | 0.67 | — | — | |
| SCHEMBL8445390 | 0.67 | — | — | |
| SCHEMBL20844132 | 0.64 | — | — | |
| SCHEMBL6633904 | 0.63 | POLB (0.33) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2858983-B1 | TNF-ALPHA MODULATING BENZIMIDAZOLES | UCB BIOPHARMA SPRL (BE) | 2018-04-18 | — | — | EP | disclosed |
| US-9550737-B2 | TNF -α modulating benzimidazoles | UCB BIOPHARMA SPRL (BE) | 2017-01-24 | — | — | US | disclosed |
| US-20150152065-A1 | TNF -Alpha Modulating Benzimidazoles | UCB BIOPHARMA SPRL (BE) | 2015-06-04 | — | — | US | disclosed |
| EP-2858983-A1 | TNF -ALPHA MODULATING BENZIMIDAZOLES | UCB Biopharma SPRL (BE) | 2015-04-15 | — | — | EP | disclosed |
| WO-2013186229-A1 | TNF -ALPHA MODULATING BENZIMIDAZOLES | UCB PHARMA S.A. (BE) | 2013-12-19 | — | — | WO | disclosed |