⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14777171 | 0.79 | — | — | |
| SCHEMBL2764472 | 0.79 | — | — | |
| SCHEMBL25417488 | 0.72 | — | — | |
| SCHEMBL14818321 | 0.71 | — | — | |
| SCHEMBL11049627 | 0.69 | — | — | |
| SCHEMBL2763246 | 0.69 | — | — | |
| SCHEMBL25184743 | 0.67 | CTSA (0.36) | — | |
| SCHEMBL10561418 | 0.67 | — | — | |
| SCHEMBL31538703 | 0.67 | — | — | |
| SCHEMBL394297 | 0.65 | TSHR (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-1165573-B1 | COMPOUNDS SELECTIVELY INHIBITING GAMMA 9 DELTA 2 T LYMPHOCYTES | INST NAT SANTE ETDE LA RECH ME (FR) | 2004-01-21 | — | — | EP | disclosed |
| US-4478763-A | TREATMENT OF DIPHOSPHONATE ESTERS WITH POTASSIUM TERT-BUTOXIDE AND PERCHLORYL FLUORIDE | UNIV. OF SOUTHERN CALIFORNIA (US) | 1984-10-23 | — | — | US | disclosed |