⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11250295 | 0.83 | NR1H2 (0.32) | — | |
| SCHEMBL5887631 | 0.73 | CYP3A4 (0.47) | — | |
| SCHEMBL222988 | 0.73 | HSD17B10 (0.44) | — | |
| SCHEMBL16473648 | 0.73 | CYP1A2 (0.32) | — | |
| SCHEMBL1701770 | 0.71 | — | — | |
| SCHEMBL67142 | 0.71 | — | — | |
| SCHEMBL10597056 | 0.71 | HDAC8 (0.50) | — | |
| SCHEMBL8148296 | 0.69 | MAOA (0.52) | — | |
| SCHEMBL24991865 | 0.69 | — | — | |
| SCHEMBL1226568 | 0.69 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-108786619-B | Bone material dispensing apparatus and method | 华沙整形外科股份有限公司 | 2022-03-04 | — | — | CN | disclosed |
| WO-2019056246-A1 | TRIAZINONE DERIVATIVE CONTAINING SULFONYL STRUCTURE AND PREPARATION METHOD THEREFOR, AND INSECTICIDAL AND BACTERICIDAL USES THEREOF | 南开大学 | 2019-03-28 | — | — | WO | disclosed |
| US-20110160488-A1 | Fluorination Processes with Arylsulfur Halotetrafluorides | I M &T RESEARCH, INC. (US) | 2011-06-30 | — | — | US | disclosed |
| WO-2009114409-A2 | FLUORINATION PROCESSES WITH ARYLSULFUR HALOTETRAFLUORIDES | IM & T RESEARCH, INC. (US) | 2009-09-17 | — | — | WO | disclosed |
| US-7429670-B2 | Synthesis of derivatives of ginkgolide C | THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) | 2008-09-30 | — | — | US | disclosed |