⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3750848 | 0.78 | — | — | |
| SCHEMBL6178393 | 0.75 | TSHR (0.32) | — | |
| SCHEMBL5985108 | 0.74 | — | — | |
| SCHEMBL3750163 | 0.74 | — | — | |
| SCHEMBL127927 | 0.73 | — | — | |
| SCHEMBL3754429 | 0.73 | — | — | |
| SCHEMBL3756967 | 0.72 | — | — | |
| SCHEMBL3748319 | 0.72 | — | — | |
| SCHEMBL232811 | 0.71 | — | — | |
| SCHEMBL27984 | 0.71 | — | — |
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-0556225-A1 | SUBSTITUTED PYRIDO 2,3-d]PYRIMIDIN-2,4(1H,3H)-DIONES | BASF Aktiengesellschaft (DE) | 1993-08-25 | — | — | EP | disclosed |
| WO-1992008719-A1 | SUBSTITUTED PYRIDO[2,3-d]PYRIMIDIN-2,4(1H,3H)-DIONES | BASF AKTIENGESELLSCHAFT (DE) | 1992-05-29 | — | — | WO | disclosed |