⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19873026 | 0.74 | TSHR (0.30) | — | |
| SCHEMBL16041419 | 0.74 | ALDH1A1 (0.31) | — | |
| SCHEMBL16041417 | 0.74 | ALDH1A1 (0.31) | — | |
| SCHEMBL890556 | 0.64 | — | — | |
| SCHEMBL6923024 | 0.62 | — | — | |
| SCHEMBL18677599 | 0.62 | — | — | |
| SCHEMBL2048545 | 0.54 | — | — | |
| SCHEMBL2039337 | 0.54 | — | — | |
| SCHEMBL20860664 | 0.51 | — | — | |
| SCHEMBL14721494 | 0.51 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2009117080-A1 | QUINAZOLINE DERIVATIVES AS RAF KINASE MODULATORS AND METHODS OF USE THEREOF | AMBIT BIOSCIENCES CORPORATON (US) | 2009-09-24 | — | — | WO | disclosed |