⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7754010 | 0.93 | CA1 (0.35) | — | |
| SCHEMBL7754000 | 0.91 | CA1 (0.38) | — | |
| SCHEMBL7756619 | 0.85 | — | — | |
| SCHEMBL7754371 | 0.82 | ATM (0.34) | — | |
| SCHEMBL7754323 | 0.80 | LPAR3 (0.35) | — | |
| SCHEMBL723502 | 0.80 | — | — | |
| SCHEMBL6058346 | 0.80 | — | — | |
| SCHEMBL12197478 | 0.80 | — | — | |
| SCHEMBL8724680 | 0.79 | ADRB2 (0.45) | — | |
| SCHEMBL8724684 | 0.79 | ADRB2 (0.45) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0835248-B1 | 1-AMINO-3-BENZYLURACILS | BASF AG (DE) | 2001-02-21 | — | — | EP | disclosed |