⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10703333 | 0.89 | CYP1A2 (0.30) | — | |
| SCHEMBL11638559 | 0.73 | KCNH2 (0.31) | — | |
| SCHEMBL11050006 | 0.70 | — | — | |
| SCHEMBL2087043 | 0.70 | SLC29A1 (0.32) | — | |
| SCHEMBL3429613 | 0.66 | MAPT (0.33) | — | |
| SCHEMBL1366763 | 0.66 | MAPT (0.33) | — | |
| SCHEMBL2484393 | 0.66 | MAPT (0.33) | — | |
| SCHEMBL3448201 | 0.64 | ADH1A (0.39) | — | |
| SCHEMBL7118919 | 0.62 | — | — | |
| SCHEMBL24951487 | 0.61 | DPP4 (0.35) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2010014939-A1 | PYRIMIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE | GENENTECH, INC. (US) | 2010-02-04 | — | — | WO | disclosed |