⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL31069349 | 0.91 | — | — | |
| SCHEMBL31069374 | 0.91 | GRIN1 (0.33) | — | |
| SCHEMBL31069350 | 0.90 | — | — | |
| SCHEMBL31069274 | 0.89 | LOXL2 (0.30) | — | |
| SCHEMBL31069340 | 0.87 | CYP3A4 (0.45) | — | |
| SCHEMBL31069365 | 0.86 | CYP3A4 (0.36) | — | |
| SCHEMBL31069457 | 0.85 | CYP3A4 (0.38) | — | |
| SCHEMBL31069453 | 0.85 | CYP3A4 (0.42) | — | |
| SCHEMBL18056657 | 0.83 | CCR9 (0.33) | — | |
| SCHEMBL31069328 | 0.81 | CYP3A4 (0.30) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2024174953-A1 | BENZIMIDAZOLE DERIVATIVE AND MEDICAL USE THEREOF | 苏州隆博泰药业有限公司 | 2024-08-29 | — | — | WO | claimed |
| WO-2024174953-A1 | BENZIMIDAZOLE DERIVATIVE AND MEDICAL USE THEREOF | 苏州隆博泰药业有限公司 | 2024-08-29 | — | — | WO | disclosed |