⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21969664 | 1.00 | — | — | |
| SCHEMBL2601347 | 0.93 | — | — | |
| SCHEMBL2614325 | 0.93 | — | — | |
| SCHEMBL18327050 | 0.93 | — | — | |
| SCHEMBL19197834 | 0.84 | EPHX1 (0.33) | — | |
| SCHEMBL1708842 | 0.84 | CYP2D6 (0.32) | — | |
| SCHEMBL10197388 | 0.84 | CYP2D6 (0.32) | — | |
| SCHEMBL10267353 | 0.84 | CYP2D6 (0.32) | — | |
| SCHEMBL20685148 | 0.83 | CYP2D6 (0.33) | — | |
| SCHEMBL20685173 | 0.83 | EPHX1 (0.36) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20240067633-A1 | KETOHEXOKINASE INHIBITOR AND USE THEREOF | XIZANG HAISCO PHARMACEUTICAL CO., LTD. (CN) | 2024-02-29 | — | — | US | disclosed |
| US-20230159491-A1 | Antimicrobial Compounds and Methods | NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT | 2023-05-25 | — | — | US | disclosed |
| US-20230159491-A1 | Antimicrobial Compounds and Methods | NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT | 2023-05-25 | — | — | US | disclosed |
| US-20170027956-A1 | HETEROCYCLIC TYROSINE KINASE INHIBITORS | BIOGEN IDEC MA INC. | 2017-02-02 | — | — | US | disclosed |
| US-9273028-B2 | Heterocyclic tyrosine kinase inhibitors | BIOGEN MA INC. (US) | 2016-03-01 | — | — | US | disclosed |