⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1607175 | 0.83 | — | — | |
| SCHEMBL1118535 | 0.81 | TSHR (0.75) | — | |
| Ethane Dimethane Sulfonate SCHEMBL1336145 | 0.81 | USP2 (0.75) | — | |
| SCHEMBL11401918 | 0.79 | TSHR (0.71) | — | |
| SCHEMBL29018669 | 0.79 | TSHR (0.71) | — | |
| SCHEMBL1283997 | 0.79 | TSHR (0.71) | — | |
| SCHEMBL5838934 | 0.78 | — | — | |
| Busulfan SCHEMBL4373 | 0.75 | TSHR (1.00) | — | |
| Busulfan SCHEMBL4764696 | 0.75 | TSHR (1.00) | — | |
| Ethane Dimethane Sulfonate SCHEMBL4149477 | 0.75 | USP2 (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 33 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-108368127-B | Compounds and their use as EP4 receptor antagonists | 武田药品工业株式会社 | 2020-12-11 | — | — | CN | disclosed |
| US-20200339577-A1 | 1-SUBSTITUTED 1,2,3,4-TETRAHYDRO-1,7-NAPHTHYRIDIN-8-AMINE DERIVATIVES AND THEIR USE AS EP4 RECEPTOR ANTAGONISTS | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2020-10-29 | — | — | US | disclosed |
| US-10745397-B2 | 1-Substituted 1,2,3,4-tetrahydro-1,7-naphthyridin-8-amine derivatives and their use as EP4 receptor antagonists | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2020-08-18 | — | — | US | disclosed |
| EP-3325490-B1 | 1-SUBSTITUTED 1,2,3,4-TETRAHYDRO-1,7-NAPHTHYRIDIN-8-AMINE DERIVATIVES AND THEIR USE AS EP4 RECEPTOR ANTAGONISTS | TAKEDA PHARMACEUTICALS CO (JP) | 2019-12-18 | — | — | EP | disclosed |
| CN-108368127-A | 1,2,3,4- tetrahydrochysene -1,7- naphthyridines -8- the amine derivatives of 1- substitutions and its purposes as EP4 receptor antagonists | 武田药品工业株式会社 | 2018-08-03 | — | — | CN | disclosed |
| US-20180215754-A1 | 1-SUBSTITUTED 1,2,3,4-TETRAHYDRO-1,7-NAPHTHYRIDIN-8-AMINE DERIVATIVES AND THEIR USE AS EP4 RECEPTOR ANTAGONISTS | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2018-08-02 | — | — | US | disclosed |
| EP-3325490-A1 | 1-SUBSTITUTED 1,2,3,4-TETRAHYDRO-1,7-NAPHTHYRIDIN-8-AMINE DERIVATIVES AND THEIR USE AS EP4 RECEPTOR ANTAGONISTS | Takeda Pharmaceutical Company Limited (JP) | 2018-05-30 | — | — | EP | disclosed |
| WO-2017014323-A1 | 1-SUBSTITUTED 1,2,3,4-TETRAHYDRO-1,7-NAPHTHYRIDIN-8-AMINE DERIVATIVES AND THEIR USE AS EP4 RECEPTOR ANTAGONISTS | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2017-01-26 | — | — | WO | disclosed |
| US-8372380-B2 | In vivo imaging of sulfotransferases | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 2013-02-12 | — | — | US | disclosed |
| US-8080556-B2 | 2-amino pyrimidine compounds as potent HSP-90 inhibitors | PFIZER INC. (US) | 2011-12-20 | — | — | US | disclosed |
| US-4115099-A | PROTECTION OF CORN | STAUFFER CHEMICAL COMPANY (US) | 1978-09-19 | — | — | US | disclosed |
| US-4098599-A | HALOALKYL SULFONATES | STAUFFER CHEMICAL COMPANY (US) | 1978-07-04 | — | — | US | disclosed |
| US-4009190-A | PROTECTS CORN FROM HERBICIDES | STAUFFER CHEMICAL COMPANY (US) | 1977-02-22 | — | — | US | disclosed |
| US-4009191-A | PROTECTS CORN FROM HERBICIDES | STAUFFER CHEMICAL COMPANY (US) | 1977-02-22 | — | — | US | disclosed |
| US-3966961-A | Methanesulfonic acid-2-bromoethyl ester nematocide | CIBA-GEIGY CORPORATION (US) | 1976-06-29 | — | — | US | disclosed |
| US-3966961-A | Methanesulfonic acid-2-bromoethyl ester nematocide | CIBA-GEIGY CORPORATION (US) | 1976-06-29 | — | — | US | disclosed |
| US-3966961-A | Methanesulfonic acid-2-bromoethyl ester nematocide | CIBA-GEIGY CORPORATION (US) | 1976-06-29 | — | — | US | disclosed |
| US-3934026-A | Combating nematodes with alkanesulfonic acid 2-bromoethyl esters | BAYER AKTIENGESELLSCHAFT (DT) | 1976-01-20 | — | — | US | disclosed |
| US-3930836-A | SUBSTITUTED SULFONATE ANTIDOTE COMPOUNDS AND METHOD OF USE WITH HERBICIDES | STAUFFER CHEMICAL COMPANY (US) | 1976-01-06 | — | — | US | disclosed |
| US-3930839-A | SUBSTITUTED SULFONATE ANTIDOTE COMPOSITIONS AND METHOD OF USE WITH HERBICIDES | STAUFFER CHEMICAL COMPANY (US) | 1976-01-06 | — | — | US | disclosed |