⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4531048 | 0.79 | TSHR (0.36) | — | |
| SCHEMBL28857976 | 0.77 | — | — | |
| SCHEMBL66883 | 0.72 | — | — | |
| SCHEMBL4531715 | 0.72 | — | — | |
| SCHEMBL11265106 | 0.70 | — | — | |
| SCHEMBL4043070 | 0.70 | — | — | |
| SCHEMBL15129711 | 0.69 | ALDH1A1 (0.31) | — | |
| SCHEMBL15129712 | 0.69 | ALDH1A1 (0.31) | — | |
| SCHEMBL20789359 | 0.69 | SPHK1 (0.48) | — | |
| SCHEMBL21506851 | 0.66 | ANPEP (0.30) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2115177-A1 | METHOD FOR THE ELUTION OF 18F FLUORIDE TRAPPED ON AN ANION-EXCHANGE PHASE IN A FORM SUITABLE FOR EFFICIENT RADIOLABELING WITHOUT ANY EVAPORATION STEP | Trasis S.A. (BE) | 2009-11-11 | — | — | EP | disclosed |
| WO-2008101305-A1 | METHOD FOR THE ELUTION OF 18F FLUORIDE TRAPPED ON AN ANION-EXCHANGE PHASE IN A FORM SUITABLE FOR EFFICIENT RADIOLABELING WITHOUT ANY EVAPORATION STEP | TRASIS S.A. (BE) | 2008-08-28 | — | — | WO | disclosed |