⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3437811 | 0.77 | MAPT (0.31) | — | |
| SCHEMBL30480266 | 0.62 | MAPT (0.31) | — | |
| Biphenyl SCHEMBL4048778 | 0.54 | ALDH1A1 (0.53) | — | |
| SCHEMBL5201533 | 0.54 | ALDH1A1 (0.53) | — | |
| SCHEMBL11035602 | 0.54 | ALDH1A1 (0.53) | — | |
| Biphenyl SCHEMBL8071601 | 0.54 | ALDH1A1 (0.53) | — | |
| Biphenyl SCHEMBL15309189 | 0.54 | ALDH1A1 (0.53) | — | |
| Biphenyl SCHEMBL2044287 | 0.54 | ALDH1A1 (0.53) | — | |
| SCHEMBL61560 | 0.54 | ALDH1A1 (0.53) | — | |
| SCHEMBL22341230 | 0.54 | ALDH1A1 (0.37) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-5622953-A | DRUG RESISTANT TO ANTICANCER CHEMOTHERAPEUTIC DRUG | BASF AKTIENGESELLSCHAFT (DE) | 1997-04-22 | — | — | US | disclosed |