⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6931137 | 0.78 | PYGB (0.43) | — | |
| SCHEMBL7713761 | 0.78 | PYGB (0.43) | — | |
| SCHEMBL4847026 | 0.76 | PYGB (0.38) | — | |
| SCHEMBL9385852 | 0.63 | IDUA (0.38) | — | |
| SCHEMBL317426 | 0.62 | — | — | |
| SCHEMBL7052360 | 0.62 | — | — | |
| SCHEMBL29790208 | 0.62 | FUCA1 (0.33) | — | |
| SCHEMBL14532806 | 0.61 | SLC5A1 (0.33) | — | |
| SCHEMBL16750227 | 0.61 | SLC5A1 (0.33) | — | |
| SCHEMBL18937672 | 0.61 | SLC5A1 (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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5624909-A | Derivatives of triterpenoid acids as inhibitors of cell-adhesion molecules ELAM-1 (e-selectin) and LECAM-1 (l-selectin) | GLYCOMED INCORPORATED (US) | 1997-04-29 | — | — | US | disclosed |
| EP-0691813-A4 | DERIVATIVES OF TRITERPENOID ACIDS AS INHIBITORS OF CELL-ADHESION MOLECULES ELAM-1 (E-SELECTIN) AND LECAM-1 (L-SELECTIN) | GLYCOMED INC (US) | 1996-08-07 | — | — | EP | disclosed |
| US-5519008-A | Derivatives of triterpenoid acids as inhibitors of cell-adhesion molecules ELAM-1 (E-selectin) and LECAM-1 (L-selectin) | GLYCOMED INCORPORATED (US) | 1996-05-21 | — | — | US | disclosed |
| EP-0691813-A1 | DERIVATIVES OF TRITERPENOID ACIDS AS INHIBITORS OF CELL-ADHESION MOLECULES ELAM-1 (E-SELECTIN) AND LECAM-1 (L-SELECTIN) | GLYCOMED INCORPORATED (US) | 1996-01-17 | — | — | EP | disclosed |
| WO-1994005152-A1 | DERIVATIVES OF TRITERPENOID ACIDS AS INHIBITORS OF CELL-ADHESION MOLECULES ELAM-1 (E-SELECTIN) AND LECAM-1 (L-SELECTIN) | GLYCOMED INCORPORATED (US) | 1994-03-17 | — | — | WO | disclosed |