⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6215421 | 0.77 | — | — | |
| SCHEMBL6213026 | 0.76 | KDM4E (0.39) | — | |
| SCHEMBL6769515 | 0.75 | ALDH1A1 (0.44) | — | |
| SCHEMBL6766668 | 0.75 | ALDH1A1 (0.44) | — | |
| SCHEMBL6211966 | 0.74 | MEN1 (0.40) | — | |
| SCHEMBL6766686 | 0.74 | ALDH1A1 (0.48) | — | |
| SCHEMBL6766158 | 0.71 | — | — | |
| SCHEMBL6765763 | 0.71 | ALDH1A1 (0.44) | — | |
| SCHEMBL6765883 | 0.69 | GAA (0.45) | — | |
| SCHEMBL6211637 | 0.69 | — | — |
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-1254118-B1 | SUBSTITUTED 1,2,3,4- TETRAHYDROQUINOLINE-2-CARBOXYLIC ACID DERIVATIVES | GRUENENTHAL GMBH (DE) | 2005-11-09 | — | — | EP | claimed |