⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2459531 | 1.00 | — | — | |
| SCHEMBL2459532 | 1.00 | — | — | |
| SCHEMBL9307779 | 0.84 | GABRR1 (0.35) | — | |
| SCHEMBL9307785 | 0.84 | GABRR1 (0.35) | — | |
| SCHEMBL462085 | 0.78 | — | — | |
| SCHEMBL265253 | 0.78 | — | — | |
| SCHEMBL462086 | 0.78 | — | — | |
| SCHEMBL28682251 | 0.75 | — | — | |
| SCHEMBL29274488 | 0.75 | — | — | |
| SCHEMBL28417021 | 0.75 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20100204184-A1 | Phosphonates useful as modulators of T-gamma-9-delta-2 activity | LABORATOIRES MAYOLY SPINDLER (FR) | 2010-08-12 | — | — | US | disclosed |
| 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 |