⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10406221 | 0.77 | ALDH1A1 (0.30) | — | |
| SCHEMBL14346986 | 0.72 | ALDH1A1 (0.52) | — | |
| SCHEMBL18561859 | 0.72 | ALDH1A1 (0.52) | — | |
| SCHEMBL6563687 | 0.72 | ALDH1A1 (0.52) | — | |
| SCHEMBL4654260 | 0.69 | — | — | |
| SCHEMBL23913764 | 0.67 | SLC22A6 (0.41) | — | |
| SCHEMBL4768222 | 0.67 | ALDH1A1 (0.39) | — | |
| SCHEMBL1572820 | 0.67 | SLC22A6 (0.41) | — | |
| SCHEMBL20711453 | 0.67 | SLC22A6 (0.41) | — | |
| SCHEMBL11444662 | 0.67 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8492543-B2 | Method for producing quinazoline derivative | EISAI R&D MANAGEMENT CO., LTD. (JP) | 2013-07-23 | — | — | US | disclosed |
| EP-2189450-B1 | METHOD FOR PRODUCING QUINAZOLINE DERIVATIVE | EISAI R&D MAN CO LTD (JP) | 2011-12-21 | — | — | EP | disclosed |
| US-20110152521-A1 | Method for Producing Quinazoline Derivative | EISAI R&D MANAGEMENT CO., LTD. (JP) | 2011-06-23 | — | — | US | disclosed |
| EP-2189450-A1 | METHOD FOR PRODUCING QUINAZOLINE DERIVATIVE | Eisai R&D Management Co., Ltd. (JP) | 2010-05-26 | — | — | EP | disclosed |