⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8539374 | 0.69 | — | — | |
| SCHEMBL11203730 | 0.67 | — | — | |
| SCHEMBL2204299 | 0.62 | — | — | |
| SCHEMBL7214673 | 0.62 | — | — | |
| SCHEMBL28447363 | 0.61 | — | — | |
| SCHEMBL28226896 | 0.61 | — | — | |
| SCHEMBL7279532 | 0.61 | — | — | |
| SCHEMBL15956992 | 0.60 | — | — | |
| SCHEMBL24328852 | 0.59 | — | — | |
| SCHEMBL7818599 | 0.59 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0584347-A4 | ENANTIOMERIC HYDROXYLATED XANTHINE COMPOUNDS. | CELL THERAPEUTICS INC (US) | 1995-04-26 | — | — | EP | disclosed |
| EP-0584347-A1 | ENANTIOMERIC HYDROXYLATED XANTHINE COMPOUNDS | CELL THERAPEUTICS, INC. (US) | 1994-03-02 | — | — | EP | disclosed |
| WO-1993017684-A2 | ENANTIOMERIC HYDROXYLATED XANTHINE COMPOUNDS | CELL THERAPEUTICS, INC. (US) | 1993-09-16 | — | — | WO | disclosed |