⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3379249 | 0.76 | TSHR (0.37) | — | |
| Acrylic Acid SCHEMBL29373711 | 0.75 | ALOX15 (0.58) | — | |
| SCHEMBL1830243 | 0.72 | FAAH (0.48) | — | |
| Acrylamide SCHEMBL28038068 | 0.72 | TSHR (0.48) | — | |
| SCHEMBL5355933 | 0.71 | CAMK2A (0.32) | — | |
| SCHEMBL16230351 | 0.70 | — | — | |
| SCHEMBL13759880 | 0.70 | — | — | |
| Acrylic Acid SCHEMBL29249576 | 0.70 | ALOX15 (0.42) | — | |
| SCHEMBL7750669 | 0.70 | TSHR (0.43) | — | |
| SCHEMBL7758820 | 0.69 | TET2 (0.40) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2012037358-A1 | ASYMMETRIC BIFUNCTIONAL SILYL MONOMERS AND PARTICLES THEREOF AS PRODRUGS AND DELIVERY VEHICLES FOR PHARMACEUTICAL, CHEMICAL AND BIOLOGICAL AGENTS | THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) | 2012-03-22 | — | — | WO | disclosed |