⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3573342 | 0.74 | — | — | |
| SCHEMBL336316 | 0.74 | — | — | |
| SCHEMBL10011886 | 0.73 | MMP1 (0.35) | — | |
| SCHEMBL17971245 | 0.72 | — | — | |
| SCHEMBL2400553 | 0.67 | — | — | |
| SCHEMBL12154108 | 0.67 | — | — | |
| SCHEMBL13007103 | 0.67 | CYP3A4 (0.32) | — | |
| SCHEMBL336146 | 0.67 | — | — | |
| SCHEMBL9503754 | 0.67 | — | — | |
| SCHEMBL1223591 | 0.66 | — | — |
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-1278742-A1 | CHROMENYLMETHYLPYRIMIDINEDIAMINES AS ANTIBACTERIAL AGENTS | Basilea Pharmaceutica AG (CH) | 2003-01-29 | — | — | EP | disclosed |
| WO-2001083476-A1 | CHROMENYLMETHYL PYRIMIDINEDIAMINES AS ANTIBACTERIAL AGENTS | BASILEA PHARMACEUTICA AG (CH) | 2001-11-08 | — | — | WO | disclosed |