⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8009432 | 0.93 | — | — | |
| SCHEMBL17839935 | 0.93 | — | — | |
| SCHEMBL5199037 | 0.83 | — | — | |
| SCHEMBL9419501 | 0.73 | HSD17B10 (0.34) | — | |
| SCHEMBL2846727 | 0.72 | DAO (0.31) | — | |
| SCHEMBL1710519 | 0.72 | DAO (0.31) | — | |
| Ethylene SCHEMBL3215921 | 0.69 | — | — | |
| SCHEMBL2848692 | 0.67 | MAPK1 (0.35) | — | |
| SCHEMBL3705756 | 0.67 | — | — | |
| Ethylene SCHEMBL6268344 | 0.66 | — | — |
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-0778836-B1 | SUBSTITUTED 9-ALKYLADENINES | ADERIS PHARMACEUTICALS INC (US) | 2005-12-28 | — | — | EP | disclosed |
| EP-1602657-A2 | Substituted 9-alkyladenines | Discovery Therapeutics, Inc. (US) | 2005-12-07 | — | — | EP | disclosed |
| US-5981524-A | AS DIURETICS, RENAL PROTECTIVES AGAINST ACUTE OR CHRONIC RENAL FAILURE, AS WELL AS AGENTS TO FACILITATE RECOVERY FROM COMA, TO TREAT OR PREVENT INTERMITTENT CALLUDICATION AND TO RESTORE CARDIAC FUNCTION FOLLOWING A CARDIOPLEGIC PROCEDURE | DISCOVERY THERAPEUTICS, INC. (US) | 1999-11-09 | — | — | US | disclosed |
| EP-0778836-A4 | SUBSTITUTED 9-ALKYLADENINES | DISCOVERY THERAPEUTICS INC (US) | 1998-02-04 | — | — | EP | disclosed |
| US-5670501-A | USEFUL AS DIURETICS, TREATING RENAL DISORDERS, RESTORING CARDIAC FUNCTIONS | DISCOVERY THERAPEUTICS, INC. (US) | 1997-09-23 | — | — | US | disclosed |
| EP-0778836-A1 | SUBSTITUTED 9-ALKYLADENINES | Discovery Therapeutics, Inc. (US) | 1997-06-18 | — | — | EP | disclosed |
| WO-1996006845-A1 | SUBSTITUTED 9-ALKYLADENINES | DISCOVERY THERAPEUTICS, INC. (US) | 1996-03-07 | — | — | WO | disclosed |