⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14582235 | 0.84 | — | — | |
| SCHEMBL16019089 | 0.79 | DNM1 (0.38) | — | |
| SCHEMBL18727098 | 0.77 | CA12 (0.44) | — | |
| SCHEMBL16019091 | 0.77 | — | — | |
| SCHEMBL291681 | 0.75 | — | — | |
| SCHEMBL9059451 | 0.75 | — | — | |
| SCHEMBL9667607 | 0.75 | — | — | |
| SCHEMBL4094877 | 0.75 | — | — | |
| SCHEMBL21578391 | 0.75 | NOS3 (0.38) | — | |
| SCHEMBL20432161 | 0.73 | DNM1 (0.33) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20230173406-A1 | CHROMATOGRAPHIC COLUMNS AND SEPARATION DEVICES COMPRISING A SUPERFICIALLY POROUS MATERIAL; AND USE THEREOF FOR SUPERCRITICAL FLUID CHROMATOGRAPHY AND OTHER CHROMATOGRAPHY | WATERS TECHNOLOGIES CORPORATION (US) | 2023-06-08 | — | — | US | disclosed |
| US-20210283278-A1 | CHIRAL CYCLEN COMPOUNDS AND THEIR USES | THE HONG KONG POLYTECHNIC UNIVERSITY (CN) | 2021-09-16 | — | — | US | disclosed |