⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9687891 | 0.82 | SLC6A1 (0.48) | — | |
| SCHEMBL27261019 | 0.82 | GNAI3 (0.31) | — | |
| SCHEMBL6856101 | 0.78 | — | — | |
| SCHEMBL19977457 | 0.76 | GNAI3 (0.35) | — | |
| SCHEMBL669897 | 0.76 | GNAI3 (0.56) | — | |
| SCHEMBL3429214 | 0.76 | — | — | |
| Hydrochloric Acid SCHEMBL4341709 | 0.74 | — | — | |
| SCHEMBL31688869 | 0.73 | SLC6A1 (0.44) | — | |
| SCHEMBL24393442 | 0.72 | — | — | |
| SCHEMBL9437364 | 0.72 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-7034016-B2 | 8-phenyl-6,9-dihydro-[1,2,4]triazolo[3,4-i]purin-5-one derivatives | ALMIRALL PRODESFARMA, S.A. (ES) | 2006-04-25 | — | — | US | disclosed |
| CN-1198825-C | 8-phenyl-6, 9-dihydro- [1,2,4] triazolo [3, 4-i ] purin-5-one derivatives | ALMIRALL PRODESFARM S A (ES) | 2005-04-27 | — | — | CN | disclosed |
| EP-1198464-B1 | 8-PHENYL-6,9-DIHYDRO-[1,2,4]TRIAZOLO[3,4-i]PURIN-5-ONE DERIVATIVES | ALMIRALL PRODESFARMA SA (ES) | 2003-10-08 | — | — | EP | disclosed |
| US-20030060627-A1 | 8-Phenyl-6, 9-dihydro-[1,2,4] triazolo[3,4-i]purin-5-one derivatives | ALMIRALL PRODESFARMA, S.A. (ES) | 2003-03-27 | — | — | US | disclosed |
| CN-1374962-A | 8-phenyl-6,9-dihydro-[1,2,4]triazolo[3,4-i] purin-5-one derivatives | ALMIRALL PRODESFARM S A (ES) | 2002-10-16 | — | — | CN | disclosed |
| EP-1198464-A1 | 8-PHENYL-6,9-DIHYDRO- 1,2,4]TRIAZOLO 3,4- i i /i ]PURIN-5-ONE DERIVATIVES | Almirall Prodesfarma, S.A. (ES) | 2002-04-24 | — | — | EP | disclosed |
| WO-2001007441-A1 | 8-PHENYL-6,9-DIHYDRO-[1,2,4]TRIAZOLO[3,4-i]PURIN-5-ONE DERIVATIVES | ALMIRALL PRODESFARMA S.A. (ES) | 2001-02-01 | — | — | WO | disclosed |