⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10818184 | 0.93 | — | — | |
| SCHEMBL1616368 | 0.75 | — | — | |
| SCHEMBL10818580 | 0.73 | — | — | |
| SCHEMBL10468222 | 0.69 | — | — | |
| SCHEMBL1864684 | 0.69 | — | — | |
| SCHEMBL9788057 | 0.67 | — | — | |
| SCHEMBL2967758 | 0.66 | ALDH1A1 (0.35) | — | |
| SCHEMBL8522114 | 0.65 | KDM4E (0.32) | — | |
| SCHEMBL7420451 | 0.65 | — | — | |
| SCHEMBL10359635 | 0.65 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2020191501-A1 | METHODS AND USES OF BEMITHYL AND DERIVATIVES FOR TREATING LUNG DISEASE, FATTY LIVER DISEASE, AND KIDNEY DISORDERS | ALGERNON PHARMACEUTICALS INC. (CA) | 2020-10-01 | — | — | WO | 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 |