⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5262798 | 1.00 | — | — | |
| SCHEMBL15646997 | 0.86 | — | — | |
| SCHEMBL5260214 | 0.70 | SLC6A2 (0.31) | — | |
| SCHEMBL5262802 | 0.70 | SLC6A2 (0.31) | — | |
| SCHEMBL1929358 | 0.69 | SLC6A2 (0.31) | — | |
| SCHEMBL6061606 | 0.68 | LMNA (0.32) | — | |
| SCHEMBL10460374 | 0.68 | — | — | |
| SCHEMBL9801724 | 0.68 | SLC6A2 (0.31) | — | |
| SCHEMBL9801157 | 0.68 | SLC6A2 (0.31) | — | |
| SCHEMBL7621075 | 0.67 | LMNA (0.32) | — |
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-1307458-B1 | PYRROLOTRIAZOLOPYRIMIDINONE DERIVATIVES | ALMIRALL LAB (ES) | 2007-10-03 | — | — | EP | disclosed |
| US-7060824-B2 | Pyrrolotriazolopyrimidinone derivatives | ALMIRALL PRODESFARMA, S.A. (ES) | 2006-06-13 | — | — | US | disclosed |
| 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 |
| US-20040019034-A1 | Pyrrolotriazolopyrimidinone derivatives | VIDAL JUAN BERNAT (ES) | 2004-01-29 | — | — | US | disclosed |
| EP-1307458-A1 | PYRROLOTRIAZOLOPYRIMIDINONE DERIVATIVES | Almirall Prodesfarma, S.A. (ES) | 2003-05-07 | — | — | 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 |
| WO-2002012246-A1 | PYRROLOTRIAZOLOPYRIMIDINONE DERIVATIVES | ALMIRALL PRODESFARMA S.A. (ES) | 2002-02-14 | — | — | WO | disclosed |