⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4464813 | 0.81 | — | — | |
| SCHEMBL5157625 | 0.77 | — | — | |
| SCHEMBL2031613 | 0.71 | — | — | |
| SCHEMBL11579685 | 0.71 | PTK2 (0.41) | — | |
| SCHEMBL29557324 | 0.71 | — | — | |
| SCHEMBL30614585 | 0.67 | — | — | |
| SCHEMBL29479539 | 0.67 | — | — | |
| SCHEMBL15200978 | 0.67 | — | — | |
| SCHEMBL30014401 | 0.67 | — | — | |
| SCHEMBL2088616 | 0.67 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0566698-A1 | AMINO-SUBSTITUTED PYRIMIDINES, DERIVATIVES AND METHODS OF USE THEREFOR | THE ROCKEFELLER UNIVERSITY (US) | 1993-10-27 | — | — | EP | claimed |
| WO-1992011853-A1 | AMINO-SUBSTITUTED PYRIMIDINES, DERIVATIVES AND METHODS OF USE THEREFOR | THE ROCKEFELLER UNIVERSITY (US) | 1992-07-23 | — | — | WO | claimed |