⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4473450 | 0.84 | PDGFRB (0.41) | — | |
| SCHEMBL28456218 | 0.76 | — | — | |
| SCHEMBL4455983 | 0.76 | AXL (0.37) | — | |
| SCHEMBL27508840 | 0.73 | NCF1 (0.50) | — | |
| SCHEMBL4475122 | 0.72 | KDM4E (0.32) | — | |
| SCHEMBL21834220 | 0.72 | PRKCI (0.37) | — | |
| SCHEMBL8490190 | 0.72 | NCF1 (0.53) | — | |
| SCHEMBL28351340 | 0.69 | TGFBR1 (0.37) | — | |
| SCHEMBL27845398 | 0.69 | PDGFRB (0.41) | — | |
| SCHEMBL28347664 | 0.68 | AR (0.36) | — |
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-1351954-A1 | FARNESYL TRANSFERASE INHIBITING 4-HETEROCYCLYL-QUINOLINE AND QUINAZOLINE DERIVATIVES | JANSSEN PHARMACEUTICA N.V. (BE) | 2003-10-15 | — | — | EP | disclosed |
| WO-2002051834-A1 | FARNESYL TRANSFERASE INHIBITING 4-HETEROCYCLYL-QUINOLINE AND QUINAZOLINE DERIVATIVES | JANSSEN PHARMACEUTICA N.V. (BE) | 2002-07-04 | — | — | WO | disclosed |