⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24130489 | 0.78 | — | — | |
| SCHEMBL21756659 | 0.70 | CYP4F2 (0.42) | — | |
| SCHEMBL25858240 | 0.70 | CYP17A1 (0.30) | — | |
| SCHEMBL14873119 | 0.69 | — | — | |
| SCHEMBL18215038 | 0.68 | KIF11 (0.31) | — | |
| SCHEMBL14873096 | 0.68 | ALDH1A1 (0.33) | — | |
| SCHEMBL19390679 | 0.68 | — | — | |
| SCHEMBL25646278 | 0.68 | — | — | |
| SCHEMBL18931643 | 0.67 | — | — | |
| SCHEMBL3401064 | 0.67 | ERN1 (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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2023098439-A1 | PYRAZOLE DERIVATIVE, AND PREPARATION METHOD THEREFOR AND USE THEREOF IN MEDICINE | 上海和誉生物医药科技有限公司 | 2023-06-08 | — | — | WO | disclosed |
| US-11319300-B2 | Polyfluoro-substituted aromatic heterocyclic derivative, pharmaceutical composition containing same, and applications thereof | GUANGZHOU LIXIN PHARMACEUTICAL CO., LTD. (CN) | 2022-05-03 | — | — | US | disclosed |
| US-20200165229-A1 | POLYFLUORO-SUBSTITUTED AROMATIC HETEROCYCLIC DERIVATIVE, PHARMACEUTICAL COMPOSITION CONTAINING SAME, AND APPLICATIONS THEREOF | GUANGZHOU LIXIN PHARMACEUTICAL CO., LTD. (CN) | 2020-05-28 | — | — | US | disclosed |
| EP-3292125-B1 | HETEROCYCLIC COMPOUNDS AND THEIR USE IN PREVENTING OR TREATING BACTERIAL INFECTIONS | MUTABILIS (FR) | 2019-09-04 | — | — | EP | disclosed |
| US-10233180-B2 | Substituted nitrogen-containing heterocyclic derivatives, pharmaceutical compositions comprising the same and applications of antitumor thereof | ZHEJIANG UNIVERSITY (CN) | 2019-03-19 | — | — | US | disclosed |
| US-20170107213-A1 | SUBSTITUTED NITROGEN-CONTAINING HETEROCYCLIC DERIVATIVES, PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME AND APPLICATIONS OFANTITUMOR THEREOF | ZHEJIANG UNIVERSITY (CN) | 2017-04-20 | — | — | US | disclosed |
| US-20170107213-A1 | SUBSTITUTED NITROGEN-CONTAINING HETEROCYCLIC DERIVATIVES, PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME AND APPLICATIONS OFANTITUMOR THEREOF | ZHEJIANG UNIVERSITY (CN) | 2017-04-20 | — | — | US | disclosed |