⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5767080 | 0.85 | — | — | |
| SCHEMBL536794 | 0.83 | ARG1 (0.32) | — | |
| SCHEMBL6903472 | 0.79 | ARG1 (0.33) | — | |
| SCHEMBL329003 | 0.78 | SLC6A2 (0.30) | — | |
| SCHEMBL6908298 | 0.77 | ARG1 (0.33) | — | |
| SCHEMBL6899828 | 0.77 | ARG1 (0.33) | — | |
| SCHEMBL9864715 | 0.77 | ARG1 (0.33) | — | |
| SCHEMBL6469572 | 0.75 | — | — | |
| SCHEMBL7373284 | 0.75 | — | — | |
| SCHEMBL9262456 | 0.75 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-107995911-A | Benzoxazepine compounds and methods of use thereof | 豪夫迈·罗氏有限公司 | 2018-05-04 | — | — | CN | disclosed |
| CN-107873032-A | Benzoxazepine compounds and methods of use thereof | 豪夫迈·罗氏有限公司 | 2018-04-03 | — | — | CN | disclosed |
| WO-1995021848-A1 | SPHINGOID BASES AND METHODS FOR THEIR PREPARATION AND USE | THE UNITED STATES OF AMERICA, REPRESENTED BY THE (US) | 1995-08-17 | — | — | WO | disclosed |
| US-5430169-A | Method for preparation of sphingoid bases | THE UNITED STATES OF AMERICA REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) | 1995-07-04 | — | — | US | disclosed |