⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8308409 | 0.86 | ALDH1A1 (0.35) | — | |
| SCHEMBL8305542 | 0.83 | DDR1 (0.32) | — | |
| SCHEMBL8309156 | 0.82 | DDR1 (0.32) | — | |
| SCHEMBL8304561 | 0.81 | P2RX3 (0.36) | — | |
| SCHEMBL7470266 | 0.79 | P2RX3 (0.32) | — | |
| SCHEMBL7470272 | 0.79 | P2RX3 (0.32) | — | |
| SCHEMBL8303240 | 0.75 | RORC (0.37) | — | |
| SCHEMBL8303099 | 0.75 | HSD17B13 (0.33) | — | |
| SCHEMBL8307160 | 0.74 | KDM4E (0.37) | — | |
| SCHEMBL8308817 | 0.74 | — | — |
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-0891336-A1 | SUBSTITUTED 1-METHYL-3-BENZYLURACILS | BASF AKTIENGESELLSCHAFT (DE) | 1999-01-20 | — | — | EP | disclosed |
| WO-1997035845-A1 | SUBSTITUTED 1-METHYL-3-BENZYLURACILS | BASF AKTIENGESELLSCHAFT (DE) | 1997-10-02 | — | — | WO | disclosed |