⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17333483 | 0.86 | TSHR (0.30) | — | |
| SCHEMBL17333220 | 0.84 | TSHR (0.32) | — | |
| SCHEMBL28188478 | 0.81 | — | — | |
| SCHEMBL28267626 | 0.80 | GBA1 (0.42) | — | |
| SCHEMBL27751035 | 0.80 | GBA1 (0.42) | — | |
| SCHEMBL11645575 | 0.80 | GBA1 (0.42) | — | |
| SCHEMBL27569560 | 0.77 | GBA1 (0.39) | — | |
| SCHEMBL17333327 | 0.76 | TSHR (0.33) | — | |
| SCHEMBL8742087 | 0.75 | — | — | |
| SCHEMBL28302072 | 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 |
|---|---|---|---|---|---|---|---|
| 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 |