⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7149012 | 0.88 | TSHR (0.35) | — | |
| SCHEMBL7146592 | 0.82 | CYP1A2 (0.35) | — | |
| SCHEMBL7144825 | 0.81 | TK1 (0.42) | — | |
| SCHEMBL7149316 | 0.78 | KDM4E (0.39) | — | |
| SCHEMBL7139055 | 0.77 | — | — | |
| SCHEMBL7147277 | 0.76 | PARP14 (0.30) | — | |
| SCHEMBL8729507 | 0.74 | — | — | |
| SCHEMBL7620791 | 0.68 | HTT (0.33) | — | |
| SCHEMBL7142477 | 0.68 | CTSS (0.32) | — | |
| SCHEMBL7150130 | 0.67 | CTSS (0.32) | — |
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-20030065146-A1 | Monomeric diols, phosphate linked oligomers formed therefrom and processes for preparing | COOK PHILLIP D (US) | 2003-04-03 | — | — | US | disclosed |
| US-6448373-B1 | INHIBITORS OF ENZYMES SUCH AS PHOSPHOLIPASE A2; TREATMENT OF INFLAMMATORY DISEASES INCLUDING ATOPIC DERMATITIS AND INFLAMMATORY BOWEL DISEASE | ISIS PHARMACEUTICALS, INC. | 2002-09-10 | — | — | US | disclosed |
| EP-0739351-B1 | MONOMERIC DIOLS AND PHOSPHATE LINKED OLIGOMERS FORMED THEREFROM | ISIS PHARMACEUTICALS INC (US) | 2002-04-10 | — | — | EP | disclosed |