⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL196138 | 1.00 | — | — | |
| SCHEMBL525068 | 0.70 | — | — | |
| SCHEMBL3586976 | 0.70 | — | — | |
| SCHEMBL1853514 | 0.68 | — | — | |
| SCHEMBL1983801 | 0.67 | — | — | |
| SCHEMBL113928 | 0.67 | — | — | |
| SCHEMBL12955160 | 0.67 | — | — | |
| Hydrochloric Acid SCHEMBL9352347 | 0.67 | — | — | |
| SCHEMBL271371 | 0.67 | — | — | |
| SCHEMBL353937 | 0.67 | — | — |
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-2890691-B1 | BENZIMIDAZOLE DERIVATIVES AS ITK INHIBITORS | PRINCIPIA BIOPHARMA INC (US) | 2018-04-25 | — | — | EP | disclosed |
| US-9573958-B2 | Benzimidazole derivatives as ITK inhibitors | PRINCIPIA BIOPHARMA, INC. (US) | 2017-02-21 | — | — | US | disclosed |
| US-20150225412-A1 | BENZIMIDAZOLE DERIVATIVES AS ITK INHIBITORS | PRINCIPIA BIOPHARMA INC. | 2015-08-13 | — | — | US | disclosed |
| EP-2890691-A1 | BENZIMIDAZOLE DERIVATIVES AS ITK INHIBITORS | Principia Biopharma Inc. (US) | 2015-07-08 | — | — | EP | disclosed |
| WO-2014036016-A1 | BENZIMIDAZOLE DERIVATIVES AS ITK INHIBITORS | PRINCIPIA BIOPHARMA INC. (US) | 2014-03-06 | — | — | WO | disclosed |