⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11571691 | 0.86 | CA12 (0.39) | — | |
| SCHEMBL4034234 | 0.78 | — | — | |
| SCHEMBL2705473 | 0.77 | — | — | |
| SCHEMBL23925486 | 0.77 | — | — | |
| SCHEMBL16946433 | 0.77 | CYP2C19 (0.36) | — | |
| SCHEMBL7746599 | 0.76 | — | — | |
| SCHEMBL3011043 | 0.75 | CA12 (0.39) | — | |
| SCHEMBL21680773 | 0.74 | — | — | |
| SCHEMBL14587448 | 0.73 | MEN1 (0.38) | — | |
| SCHEMBL20604147 | 0.73 | NPC1 (0.42) | — |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2379537-B9 | Isoxazoline derivatives and their use as pesticide | NOVARTIS AG (CH) | 2017-07-12 | — | — | EP | claimed |
| EP-2379537-B1 | Isoxazoline derivatives and their use as pesticide | NOVARTIS AG (CH) | 2012-10-31 | — | — | EP | claimed |
| EP-1005470-B1 | OXINDOLYLQUINAZOLINE DERIVATIVES AS ANGIOGENESIS INHIBITORS | ASTRAZENECA AB (SE) | 2007-08-01 | — | — | EP | claimed |
| EP-0912557-B1 | OXINDOLE DERIVATIVES | ASTRAZENECA AB (SE) | 2003-07-09 | — | — | EP | claimed |
| EP-0880508-B1 | QUINAZOLINE DERIVATIVES AS VEGF INHIBITORS | ASTRAZENECA AB (SE) | 2003-04-16 | — | — | EP | claimed |
| EP-0929530-B1 | QUINAZOLINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM | ASTRAZENECA AB (SE) | 2002-11-20 | — | — | EP | claimed |
| WO-2021013084-A1 | FUSED RING PYRIMIDINE AMINO COMPOUND AND PREPARATION METHOD, PHARMACEUTICAL COMPOSITION, AND USE THEREOF | 中国科学院上海药物研究所 | 2021-01-28 | — | — | 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 |
| EP-2019102-A1 | Alkylacetylene substituted Acyltryptophanols | Bayer Schering Pharma AG (DE) | 2009-01-28 | — | — | EP | disclosed |
| US-20050250797-A1 | Quinzoline derivatives for use in the treatment of cancer | ASTRAZENECA AB (SE) | 2005-11-10 | — | — | US | disclosed |