⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7722684 | 1.00 | — | — | |
| SCHEMBL7729588 | 0.92 | — | — | |
| SCHEMBL7729580 | 0.92 | — | — | |
| SCHEMBL7732163 | 0.91 | — | — | |
| SCHEMBL7732156 | 0.91 | — | — | |
| SCHEMBL7301077 | 0.91 | — | — | |
| SCHEMBL7301088 | 0.91 | — | — | |
| SCHEMBL7728780 | 0.90 | — | — | |
| SCHEMBL7728786 | 0.90 | — | — | |
| SCHEMBL7730785 | 0.86 | ADORA2B (0.49) | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0628311-B1 | Xanthine-Derivatives as Antidepressants | KYOWA HAKKO KOGYO KK (JP) | 2002-04-24 | — | — | EP | disclosed |
| EP-0565377-B1 | Therapeutic agents for use in the treatment of Parkinson's Disease | KYOWA HAKKO KOGYO KK (JP) | 1998-01-07 | — | — | EP | disclosed |
| US-5587378-A | ADMINISTERING A SUBSTITUTED XANTHINE COMPOUND | KYOWA HAKKO KOGYO CO., LTD. (JP) | 1996-12-24 | — | — | US | disclosed |
| US-5543415-A | ADMINISTERING A XANTHINE DERIVATIVE | KYOWA HAKKO KOGYO CO., LTD. (JP) | 1996-08-06 | — | — | US | disclosed |
| US-5484920-A | XANTHINE DERIVATIVES | KYOWA HAKKO KOGYO CO., LTD. (JP) | 1996-01-16 | — | — | US | disclosed |
| EP-0628311-A1 | ANTIDEPRESSANT | KYOWA HAKKO KOGYO CO., LTD. (JP) | 1994-12-14 | — | — | EP | disclosed |
| EP-0565377-A1 | Therapeutic agents for use in the treatment of parkinson's disease | KYOWA HAKKO KOGYO CO., LTD. (JP) | 1993-10-13 | — | — | EP | disclosed |