⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16232096 | 0.79 | — | — | |
| SCHEMBL15497006 | 0.76 | — | — | |
| SCHEMBL21555139 | 0.64 | — | — | |
| SCHEMBL21555141 | 0.64 | — | — | |
| SCHEMBL178517 | 0.63 | CYP2B6 (0.33) | — | |
| SCHEMBL22260679 | 0.63 | — | — | |
| SCHEMBL22778619 | 0.62 | SOS1 (0.40) | — | |
| SCHEMBL9925976 | 0.61 | CYP2B6 (0.37) | — | |
| SCHEMBL11587102 | 0.61 | CYP2B6 (0.37) | — | |
| SCHEMBL90401 | 0.61 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-11560366-B2 | Bicyclo[1.1.1]pentane inhibitors of dual leucine zipper (DLK) kinase for the treatment of disease | BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) | 2023-01-24 | — | — | US | disclosed |
| US-20210115010-A1 | BICYCLO[1.1.1]PENTANE INHIBITORS OF DUAL LEUCINE ZIPPER (DLK) KINASE FOR THE TREATMENT OF DISEASE | BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM | 2021-04-22 | — | — | US | disclosed |