⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2505557 | 0.77 | — | — | |
| Hydrochloric Acid SCHEMBL11311337 | 0.75 | — | — | |
| SCHEMBL28353573 | 0.75 | — | — | |
| SCHEMBL899833 | 0.75 | — | — | |
| SCHEMBL9617040 | 0.75 | — | — | |
| SCHEMBL2262348 | 0.74 | — | — | |
| SCHEMBL20514340 | 0.73 | — | — | |
| SCHEMBL17694763 | 0.71 | — | — | |
| SCHEMBL10651811 | 0.71 | — | — | |
| SCHEMBL10651807 | 0.71 | — | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20160244435-A1 | EXPANDED THERAPEUTIC POTENTIAL IN NITROHETEROARYL ANTIMICROBIALS | THE SCRIPPS RESEARCH INSTITUTE (US) | 2016-08-25 | — | — | US | disclosed |
| WO-2014205414-A1 | EXPANDED THERAPEUTIC POTENTIAL IN NITROHETEROARYL ANTIMICROBIALS | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 2014-12-24 | — | — | WO | disclosed |
| EP-1528925-B1 | QUINAZOLINE DERIVATIVES FOR USE IN THE TREATMENT OF CANCER | ASTRAZENECA AB (SE) | 2009-04-22 | — | — | EP | disclosed |
| US-7504408-B2 | Quinzoline derivatives for use in the treatment of cancer | ASTRAZENECA AB (SE) | 2009-03-17 | — | — | US | disclosed |
| US-20050250797-A1 | Quinzoline derivatives for use in the treatment of cancer | ASTRAZENECA AB (SE) | 2005-11-10 | — | — | US | disclosed |
| EP-1528925-A1 | QUINAZOLINE DERIVATIVES FOR USE IN THE TREATMENT OF CANCER | Astrazeneca AB (SE) | 2005-05-11 | — | — | EP | disclosed |
| WO-2004004732-A1 | QUINAZOLINE DERIVATIVES FOR USE IN THE TREATMENT OF CANCER | ASTRAZENECA AB (SE) | 2004-01-15 | — | — | WO | disclosed |
| US-4275079-A | Fungicidal N-alkynylanilides | HOFFMANN-LA ROCHE INC. (US) | 1981-06-23 | — | — | US | disclosed |