⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8706990 | 0.90 | KDM4E (0.63) | — | |
| SCHEMBL194851 | 0.90 | KDM4E (0.63) | — | |
| SCHEMBL721663 | 0.90 | KDM4E (0.63) | — | |
| SCHEMBL8710107 | 0.88 | ADORA2B (0.65) | — | |
| SCHEMBL10675262 | 0.81 | ADORA2A (0.66) | — | |
| SCHEMBL8713814 | 0.81 | ADORA2B (0.57) | — | |
| SCHEMBL8705440 | 0.77 | — | — | |
| SCHEMBL7270161 | 0.77 | ADORA2A (0.52) | — | |
| SCHEMBL8705419 | 0.76 | — | — | |
| SCHEMBL8710474 | 0.76 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0415456-B1 | Xanthine compounds | KYOWA HAKKO KOGYO KK (JP) | 1996-06-26 | — | — | EP | disclosed |
| US-5525607-A | DIURETICS, BRONCHODILATORS, RENAL PROTECTING AGENTS | KYOWA HAKKO KOGYO CO., LTD (JP) | 1996-06-11 | — | — | US | disclosed |
| US-5290782-A | Bronchodilator agents, diuretics for renal protective agents | KYOWA HAKKO KOGYO CO., LTD. (JP) | 1994-03-01 | — | — | US | disclosed |
| EP-0415456-A2 | Xanthine compounds | KYOWA HAKKO KOGYO CO., LTD. (JP) | 1991-03-06 | — | — | EP | disclosed |