⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6888423 | 0.77 | SLC7A5 (0.39) | — | |
| SCHEMBL24281076 | 0.77 | SLC7A5 (0.39) | — | |
| SCHEMBL1961643 | 0.77 | — | — | |
| SCHEMBL24592989 | 0.72 | DPP4 (0.31) | — | |
| SCHEMBL24663129 | 0.70 | TSHR (0.32) | — | |
| SCHEMBL24290381 | 0.69 | — | — | |
| SCHEMBL3625131 | 0.67 | — | — | |
| SCHEMBL10615283 | 0.67 | — | — | |
| SCHEMBL82769 | 0.67 | — | — | |
| SCHEMBL17993137 | 0.67 | TDP1 (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 |
|---|---|---|---|---|---|---|---|
| CN-110746569-B | Synthetic method of fluorescent waterborne polyurethane | 淮阴工学院 | 2022-08-23 | — | — | CN | disclosed |
| CN-110746569-A | Synthetic method of fluorescent waterborne polyurethane | 淮阴工学院 | 2020-02-04 | — | — | CN | disclosed |