⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14898986 | 1.00 | — | — | |
| SCHEMBL24035538 | 0.86 | GABRR1 (0.42) | — | |
| SCHEMBL19204935 | 0.84 | CHRNB2 (0.37) | — | |
| SCHEMBL7715570 | 0.83 | KDM4E (0.40) | — | |
| SCHEMBL7715567 | 0.83 | KDM4E (0.40) | — | |
| SCHEMBL29473706 | 0.80 | KDM4E (0.41) | — | |
| SCHEMBL16512805 | 0.80 | KDM4E (0.41) | — | |
| SCHEMBL9906305 | 0.78 | CHRNB2 (0.58) | — | |
| SCHEMBL2986091 | 0.78 | CHRNB2 (0.58) | — | |
| SCHEMBL28204791 | 0.78 | CHRNB2 (0.58) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20240132477-A1 | Benzimidazole Derivatives and Their Use As Inhibitors of ITK For The Treatment of Skin Disease | PFIZER INC. (US) | 2024-04-25 | — | — | US | disclosed |
| EP-4263526-A1 | BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS INHIBITORS OF ITK FOR THE TREATMENT OF SKIN DISEASE | Pfizer Inc. (US) | 2023-10-25 | — | — | EP | disclosed |
| US-11655225-B2 | Antimycobacterial heterocyclic amides | CRESTONE, INC. (US) | 2023-05-23 | — | — | US | disclosed |
| WO-2023025277-A1 | AROMATIC RING-CONTAINING BIOLOGICAL ANTAGONIST, AND PREPARATION METHOD THEREFOR AND USE THEREOF | 上海翰森生物医药科技有限公司 | 2023-03-02 | — | — | WO | disclosed |
| WO-2022130171-A1 | BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS INHIBITORS OF ITK FOR THE TREATMENT OF SKIN DISEASE | PFIZER INC. (US) | 2022-06-23 | — | — | WO | disclosed |
| WO-2018160889-A1 | ARYL, HETEROARY, AND HETEROCYCLIC PHARMACEUTICAL COMPOUNDS FOR TREATMENT OF MEDICAL DISORDERS | ACHILLION PHARMACEUTICALS, INC. (US) | 2018-09-07 | — | — | WO | disclosed |