⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8999504 | 1.00 | — | — | |
| SCHEMBL14781527 | 0.77 | — | — | |
| SCHEMBL26355026 | 0.77 | — | — | |
| SCHEMBL3149033 | 0.75 | — | — | |
| SCHEMBL7877822 | 0.73 | — | — | |
| SCHEMBL8749610 | 0.73 | — | — | |
| SCHEMBL8995873 | 0.73 | — | — | |
| SCHEMBL7875972 | 0.73 | — | — | |
| SCHEMBL8749639 | 0.73 | — | — | |
| SCHEMBL27938216 | 0.73 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20120094975-A1 | PYRIDO [5, 4-D] PYRIMIDINES AS CELL PROLIFERATION INHIBITORS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2012-04-19 | — | — | US | disclosed |
| US-20120046270-A1 | PYRIMIDO [5,4-D] PYRIMIDINE DERIVATIVES FOR THE INHIBITION OF TYROSINE KINASES | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2012-02-23 | — | — | US | disclosed |
| US-20110183952-A1 | NEW CHEMICAL COMPOUNDS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2011-07-28 | — | — | US | disclosed |