⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4173353 | 0.94 | — | — | |
| SCHEMBL5541778 | 0.93 | ALDH1A1 (0.32) | — | |
| SCHEMBL4283071 | 0.92 | ALDH1A1 (0.44) | — | |
| SCHEMBL4285238 | 0.92 | ALDH1A1 (0.44) | — | |
| SCHEMBL27016234 | 0.92 | ALDH1A1 (0.44) | — | |
| SCHEMBL5544331 | 0.87 | ALDH1A1 (0.37) | — | |
| SCHEMBL5388661 | 0.85 | CYP3A4 (0.34) | — | |
| SCHEMBL5545162 | 0.85 | ALDH1A1 (0.40) | — | |
| SCHEMBL7675153 | 0.85 | CYP3A4 (0.34) | — | |
| SCHEMBL5538963 | 0.85 | ALDH1A1 (0.40) | — |
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 182 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8530650-B2 | 2, 5-diamino-substituted pyrido [4, 3-D] pyrimidines as autotaxin inhibitors against cancer | MERCK PATENT GMBH (DE) | 2013-09-10 | — | — | US | claimed |
| EP-2352732-B1 | 2,5-DIAMINO-SUBSTITUTED PYRIDO[4, 3-d]PYRIMIDINES AS AUTOTAXIN INHIBITORS AGAINST CANCER | MERCK PATENT GMBH (DE) | 2013-02-20 | — | — | EP | claimed |
| US-20110237583-A1 | 2, 5-DIAMINO-SUBSTITUTED PYRIDO [4, 3-D] PYRIMIDINES AS AUTOTAXIN INHIBITORS AGAINST CANCER | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG | 2011-09-29 | — | — | US | claimed |
| EP-2352732-A1 | 2, 5-DIAMINO-SUBSTITUTED PYRIDO Ý4, 3-D¨PYRIMIDINES AS AUTOTAXIN INHIBITORS AGAINST CANCER | Merck Patent GmbH (DE) | 2011-08-10 | — | — | EP | claimed |
| WO-2010063352-A1 | 2, 5-DIAMINO-SUBSTITUTED PYRIDO [4, 3-D] PYRIMIDINES AS AUTOTAXIN INHIBITORS AGAINST CANCER | MERCK PATENT GMBH (DE) | 2010-06-10 | — | — | WO | claimed |
| CN-114466893-B | Polyester film for window covering, and polyester film laminate for window covering | 三菱化学株式会社 | 2024-03-01 | — | — | CN | disclosed |
| US-20220228096-A1 | Cell Scaffold Material, Cell Culture Support, and Cell Culture Method | SHOWA DENKO MATERIALS CO., LTD. (JP) | 2022-07-21 | — | — | US | disclosed |
| CN-114466893-A | Polyester film for window attachment and polyester film laminate for window attachment | 三菱化学株式会社 | 2022-05-10 | — | — | CN | disclosed |
| EP-3992276-A1 | CELL SCAFFOLD MATERIAL, CELL CULTURING SUPPORT, AND CELL CULTURING METHOD | Showa Denko Materials Co., Ltd. (JP) | 2022-05-04 | — | — | EP | disclosed |
| CN-114051530-A | Cell scaffold material, cell culture support, and method for culturing cells | 昭和电工材料株式会社 | 2022-02-15 | — | — | CN | disclosed |
| US-20210309619-A1 | ISOXAZOLIN-5-ONE DERIVATIVES AND HERBICIDES CONTAINING THE SAME AS ACTIVE INGREDIENTS | HOKKO CHEMICAL INDUSTRY CO., LTD. (JP) | 2021-10-07 | — | — | US | disclosed |
| CN-106444285-B | Photosensitive resin composition for color filter and application thereof | 奇美实业股份有限公司 | 2021-09-10 | — | — | CN | disclosed |
| EP-0207581-A2 | Thiazolidine derivatives, their preparation and use | SANKYO COMPANY LIMITED (JP) | 1987-01-07 | — | — | EP | disclosed |
| US-4603138-A | ANTIARRHYTHMIA AGENTS, AMINOPIPERIDINE DERIVATIVES | BEECHAM WUELFING GMBH & CO. KG (DE) | 1986-07-29 | — | — | US | disclosed |
| US-4453252-A | A PYRAZOLOAZAXANTHENOISOQUINOLINONE DYE | MITSUBISHI CHEMICAL INDUSTRIES LIMITED (JP) | 1984-06-05 | — | — | US | disclosed |
| US-4444768-A | ICE CREAM CONE WRAPPER | CIBA-GEIGY CORPORATION (US) | 1984-04-24 | — | — | US | disclosed |
| EP-0097000-A2 | Amine derivatives | Beecham Wuelfing GmbH & Co KG (DE) | 1983-12-28 | — | — | EP | disclosed |
| US-4415494-A | BLUE-TO-BLACK COLORFAST DISPERSE, NITRO DYES; DIAZOTIZING A P-NITROANILINE AND COUPLING WITH AN N-SUBSTITUTED 1-NAPHTHYLAMINE | CASSELLA AKTIENGESELLSCHAFT (DE) | 1983-11-15 | — | — | US | disclosed |
| US-4296128-A | ANTITHROMBOSIS AGENTS | CIBA-GEIGY CORPORATION (US) | 1981-10-20 | — | — | US | disclosed |
| EP-0036545-A1 | Water insoluble monoazo dyes, their preparation and their use | CASSELLA Aktiengesellschaft (DE) | 1981-09-30 | — | — | EP | disclosed |