⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2889797 | 0.86 | PPARD (0.34) | — | |
| SCHEMBL2884024 | 0.84 | — | — | |
| SCHEMBL2889610 | 0.75 | CHRNB2 (0.42) | — | |
| SCHEMBL2890044 | 0.74 | CHRNB2 (0.39) | — | |
| SCHEMBL2812843 | 0.73 | SLC6A4 (0.39) | — | |
| SCHEMBL29724654 | 0.73 | SLC6A4 (0.39) | — | |
| SCHEMBL6921131 | 0.73 | FFAR1 (0.43) | — | |
| SCHEMBL2884446 | 0.73 | — | — | |
| SCHEMBL34465905 | 0.73 | KMT2A (0.30) | — | |
| SCHEMBL2329756 | 0.70 | CYP1A2 (0.47) | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8846700-B2 | Heteroaryl quinazoline derivatives | MSD K.K. (JP) | 2014-09-30 | — | — | US | disclosed |
| EP-2221301-B1 | HETEROARYLOXY QUINAZOLINE DERIVATIVE | MSD KK (JP) | 2014-06-04 | — | — | EP | disclosed |
| US-20140011801-A1 | HETEROARYL QUINAZOLINE DERIVATIVES | MSD K.K. (JP) | 2014-01-09 | — | — | US | disclosed |
| US-20120270856-A1 | HETEROARYLOXY QUINAZOLINE DERIVATIVES | IINO TOMOHARU (JP) | 2012-10-25 | — | — | US | disclosed |
| US-8232284-B2 | Heteroaryloxy quinazoline derivative | MSD K. K. (JP) | 2012-07-31 | — | — | US | disclosed |
| US-20100249146-A1 | HETEROARYLOXY QUINAZOLINE DERIVATIVE | MSD K.K. (JP) | 2010-09-30 | — | — | US | disclosed |
| EP-2221301-A1 | HETEROARYLOXY QUINAZOLINE DERIVATIVE | Banyu Pharmaceutical Co., Ltd. (JP) | 2010-08-25 | — | — | EP | disclosed |