⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL854713 | 0.84 | ADRA1A (0.45) | — | |
| SCHEMBL6427110 | 0.82 | ADRA1A (0.54) | — | |
| SCHEMBL3240257 | 0.80 | ADRA1A (0.57) | — | |
| SCHEMBL8700485 | 0.80 | PAOX (0.44) | — | |
| SCHEMBL10086054 | 0.80 | — | — | |
| SCHEMBL20004079 | 0.77 | CYP2D6 (0.36) | — | |
| SCHEMBL12831423 | 0.77 | KMT2A (0.42) | — | |
| SCHEMBL501649 | 0.77 | — | — | |
| SCHEMBL8700639 | 0.76 | PAOX (0.53) | — | |
| SCHEMBL16392763 | 0.76 | — | — |
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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-4126855-B1 | COMPOUNDS AND THEIR USE IN THE TREATMENT OF BACTERIAL INFECTIONS | HOFFMANN LA ROCHE (CH) | 2024-04-24 | — | — | EP | disclosed |
| US-20230167127-A1 | COMPOUNDS AND THEIR USE IN THE TREATMENT OF BACTERIAL INFECTION | HOFFMANN-LA ROCHE INC. (US) | 2023-06-01 | — | — | US | disclosed |
| EP-4126855-A1 | COMPOUNDS AND THEIR USE IN THE TREATMENT OF BACTERIAL INFECTION | F. Hoffmann-La Roche AG (CH) | 2023-02-08 | — | — | EP | disclosed |
| WO-2021190727-A1 | COMPOUNDS AND THEIR USE IN THE TREATMENT OF BACTERIAL INFECTION | F. HOFFMANN-LA ROCHE AG (CH) | 2021-09-30 | — | — | WO | disclosed |
| US-10859585-B2 | Lipid probes and uses thereof | THE SCRIPPS RESEARCH INSTITUTE (US) | 2020-12-08 | — | — | US | disclosed |
| US-20190293666-A1 | LIPID PROBES AND USES THEREOF | SCRIPPS RESEARCH INST (US) | 2019-09-26 | — | — | US | disclosed |
| US-10377748-B2 | Hepatitis B core protein modulators | ASSEMBLY BIOSCIENCES, INC. (US) | 2019-08-13 | — | — | US | disclosed |
| US-10168342-B2 | Lipid probes and uses thereof | THE SCRIPPS RESEARCH INSTITUTE (US) | 2019-01-01 | — | — | US | disclosed |
| EP-3274712-A1 | LIPID PROBES AND USES THEREOF | The Scripps Research Institute (US) | 2018-01-31 | — | — | EP | disclosed |
| WO-2016160544-A1 | LIPID PROBES AND USES THEREOF | THE SCRIPPS RESEARCH INSTITUTE (US) | 2016-10-06 | — | — | WO | disclosed |
| US-20160282369-A1 | LIPID PROBES AND USES THEREOF | THE SCRIPPS RESEARCH INSTITUTE | 2016-09-29 | — | — | US | disclosed |
| WO-2004018462-A1 | QUINAZOLINONE DERIVATIVES | CELLTECH R & D LIMITED (GB) | 2004-03-04 | — | — | WO | disclosed |