⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29256141 | 0.75 | — | — | |
| SCHEMBL487316 | 0.73 | ALDH1A1 (0.50) | — | |
| SCHEMBL208357 | 0.70 | — | — | |
| SCHEMBL1562873 | 0.69 | — | — | |
| SCHEMBL966385 | 0.69 | — | — | |
| Hydrochloric Acid SCHEMBL4722650 | 0.69 | — | — | |
| SCHEMBL11466157 | 0.69 | — | — | |
| SCHEMBL133211 | 0.69 | — | — | |
| SCHEMBL7290972 | 0.67 | — | — | |
| SCHEMBL27673490 | 0.65 | — | — |
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-111918881-B | Novel photocrosslinkable alginic acid derivative | 持田制药株式会社 | 2022-08-12 | — | — | CN | disclosed |
| CN-114502548-A | Crystalline forms of a CD73 inhibitor | 伊莱利利公司 | 2022-05-13 | — | — | CN | disclosed |