⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24605631 | 0.77 | PGR (0.33) | — | |
| SCHEMBL21160454 | 0.77 | — | — | |
| SCHEMBL24089683 | 0.75 | NTSR1 (0.32) | — | |
| SCHEMBL24992647 | 0.71 | — | — | |
| SCHEMBL21160725 | 0.70 | KDM4E (0.30) | — | |
| SCHEMBL50526 | 0.70 | CES1 (0.35) | — | |
| SCHEMBL24992643 | 0.69 | — | — | |
| SCHEMBL21160411 | 0.69 | GPR35 (0.39) | — | |
| SCHEMBL24992383 | 0.69 | — | — | |
| SCHEMBL21234732 | 0.69 | MAPT (0.32) | — |
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-11209437-B2 | Fluorescent probe and preparation method and use thereof | FLUORESCENCE DIAGNOSIS (SHANGHAI) BIOTECH COMPANY (CN) | 2021-12-28 | — | — | US | disclosed |
| US-20190187144-A1 | FLUORESCENT PROBE AND PREPARATION METHOD AND USE THEREOF | EAST CHINA UNIVERSITY OF SCIENCE AND TECHNOLOGY (CN) | 2019-06-20 | — | — | US | disclosed |