⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2842524 | 0.71 | — | — | |
| SCHEMBL9848852 | 0.71 | — | — | |
| SCHEMBL1172351 | 0.64 | BACE1 (0.38) | — | |
| SCHEMBL1171761 | 0.62 | APP (0.32) | — | |
| SCHEMBL1171746 | 0.62 | CTSD (0.32) | — | |
| SCHEMBL810770 | 0.56 | — | — | |
| SCHEMBL31565021 | 0.52 | — | — | |
| SCHEMBL31565022 | 0.51 | — | — | |
| SCHEMBL6447492 | 0.50 | — | — | |
| SCHEMBL16428717 | 0.38 | — | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1467996-B1 | PYRIMIDOTRIAZINES AS PHOSPHATASE INHIBITORS | HOFFMANN LA ROCHE (CH) | 2005-11-30 | — | — | EP | disclosed |
| EP-1467996-A1 | PYRIMIDOTRIAZINES AS PHOSPHATASE INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 2004-10-20 | — | — | EP | disclosed |
| US-6642381-B2 | Containing tertiary alkyl amine, pyrollidine, morpholine or piperazine moieties; optionally containing unsubstituted or substituted phenyl or naphthyl groups | HOFFMAN-LA ROCHE INC. | 2003-11-04 | — | — | US | disclosed |
| US-20030153756-A1 | Pyrimido[5,4-e] [1,2,4]triazine-5, 7-diamine compounds as protein tyrosine phosphatase inhibitors | GUERTIN KEVIN RICHARD (US) | 2003-08-14 | — | — | US | disclosed |
| WO-2003055883-A1 | PYRIMIDOTRIAZINES AS PHOSPHATASE INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 2003-07-10 | — | — | WO | disclosed |
| EP-0419396-A1 | Hydrophilic membrane for use in ultrafiltration and method of preparation | DOW DANMARK A/S (DK) | 1991-03-27 | — | — | EP | disclosed |