⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5226180 | 0.94 | — | — | |
| SCHEMBL1153410 | 0.92 | KDM4E (0.44) | — | |
| SCHEMBL11457855 | 0.92 | KDM4E (0.44) | — | |
| SCHEMBL211622 | 0.92 | KDM4E (0.44) | — | |
| SCHEMBL11461186 | 0.92 | KDM4E (0.44) | — | |
| Hydrochloric Acid SCHEMBL11271861 | 0.90 | KDM4E (0.43) | — | |
| SCHEMBL6026521 | 0.88 | — | — | |
| Bromide SCHEMBL2833944 | 0.86 | — | — | |
| SCHEMBL21453026 | 0.80 | KDM1A (0.39) | — | |
| SCHEMBL104716 | 0.79 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1613619-A1 | QUINAZOLINE DERIVATIVES FOR TREATMENT OF CANCER | AstraZeneca AB (SE) | 2006-01-11 | — | — | EP | disclosed |
| WO-2004094410-A1 | CHEMICAL COMPOUNDS | ASTRAZENECA AB (SE) | 2004-11-04 | — | — | WO | disclosed |
| US-3977994-A | Rust inhibiting composition | UNIVERSAL OIL PRODUCTS COMPANY (US) | 1976-08-31 | — | — | US | disclosed |