⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27974482 | 0.74 | TSHR (0.31) | — | |
| SCHEMBL9052170 | 0.73 | — | — | |
| SCHEMBL689684 | 0.69 | MEN1 (0.31) | — | |
| SCHEMBL9080852 | 0.69 | — | — | |
| SCHEMBL57087 | 0.67 | — | — | |
| SCHEMBL83729 | 0.66 | — | — | |
| SCHEMBL23181655 | 0.65 | — | — | |
| SCHEMBL2898782 | 0.65 | — | — | |
| SCHEMBL1828790 | 0.65 | — | — | |
| SCHEMBL3872048 | 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 6 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 |
| EP-0284005-B1 | METHOD OF PRODUCTION OF POLYOLEFINS | IDEMITSU PETROCHEMICAL CO. LTD. (JP) | 1991-12-18 | — | — | EP | disclosed |