⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6675471 | 0.56 | — | — | |
| SCHEMBL5125096 | 0.53 | — | — | |
| SCHEMBL4652462 | 0.53 | — | — | |
| SCHEMBL337603 | 0.43 | — | — | |
| SCHEMBL8537 | 0.43 | — | — | |
| SCHEMBL2234301 | 0.43 | — | — | |
| SCHEMBL31275771 | 0.41 | — | — | |
| SCHEMBL1481502 | 0.41 | — | — | |
| SCHEMBL18205013 | 0.41 | — | — | |
| SCHEMBL11218163 | 0.41 | ACHE (0.30) | — |
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-1373284-A1 | CATALYSTS CHARACTERIZED BY A DONOR-ACCEPTOR INTERACTION | Bayer Aktiengesellschaft (DE) | 2004-01-02 | — | — | EP | disclosed |
| WO-2002076999-A1 | CATALYSTS CHARACTERIZED BY A DONOR-ACCEPTOR INTERACTION | BAYER AKTIENGESELLSCHAFT (DE) | 2002-10-03 | — | — | WO | disclosed |