⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6553801 | 0.74 | GRIN2D (0.52) | — | |
| SCHEMBL6553794 | 0.74 | GRIN2D (0.52) | — | |
| SCHEMBL491391 | 0.74 | — | — | |
| SCHEMBL10582808 | 0.71 | GRIN2D (0.48) | — | |
| SCHEMBL10582804 | 0.71 | GRIN2D (0.48) | — | |
| SCHEMBL10579326 | 0.71 | GRIN2D (0.63) | — | |
| SCHEMBL10582949 | 0.71 | GRIN2D (0.63) | — | |
| Phosphoric Acid SCHEMBL443105 | 0.71 | BTN3A1 (0.50) | — | |
| SCHEMBL27700706 | 0.71 | — | — | |
| SCHEMBL144420 | 0.69 | — | — |
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-1453840-A1 | PHOSPHONATES USEFUL AS MODULATORS OF T-GAMMA-9-DELTA-2 LYMPHOCYTE ACTIVITY | Laboratoire Mayoly Spindler (FR) | 2004-09-08 | — | — | EP | disclosed |
| WO-2003050128-A1 | PHOSPHONATES USEFUL AS MODULATORS OF T $G(G)9$G(D)2 LYMPHOCYTE ACTIVITY | LABORATOIRE MAYOLY SPINDLER (FR) | 2003-06-19 | — | — | WO | disclosed |