⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5685900 | 0.69 | — | — | |
| SCHEMBL9615311 | 0.58 | — | — | |
| SCHEMBL3427206 | 0.58 | — | — | |
| SCHEMBL12277493 | 0.58 | — | — | |
| SCHEMBL251110 | 0.58 | — | — | |
| Sulfuric Acid SCHEMBL895305 | 0.51 | — | — | |
| Butadiene SCHEMBL21219232 | 0.51 | — | — | |
| Sulfuric Acid SCHEMBL28843562 | 0.49 | CA5A (0.50) | — | |
| Butadiene SCHEMBL28916617 | 0.49 | CA5A (0.39) | — | |
| Sulfuric Acid SCHEMBL28843563 | 0.49 | ALDH1A1 (0.40) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-11292717-A | — | — | None | — | — | JP | disclosed |
| EP-2298305-A1 | 4-(N-Phenylamino)-quinazolines/quinolines as inhibitors of tyrosine kinases | Boehringer Ingelheim Pharma GmbH & Co. KG (DE) | 2011-03-23 | — | — | EP | disclosed |
| JP-H11292717-A | HERBICIDAL COMPOSITION | NOVARTIS AG | 1999-10-26 | — | — | JP | disclosed |