⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5160612 | 1.00 | — | — | |
| SCHEMBL9020413 | 0.98 | EPHX1 (0.37) | — | |
| SCHEMBL1302634 | 0.93 | — | — | |
| SCHEMBL4388566 | 0.93 | — | — | |
| SCHEMBL1264064 | 0.93 | — | — | |
| SCHEMBL2916248 | 0.79 | — | — | |
| SCHEMBL1414056 | 0.78 | — | — | |
| SCHEMBL133774 | 0.78 | — | — | |
| SCHEMBL2225284 | 0.76 | CES2 (0.35) | — | |
| SCHEMBL6013932 | 0.76 | — | — |
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 259 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109311880-B | Novel tetrahydropyridopyrimidines for the treatment and prophylaxis of hepatitis B virus infections | 豪夫迈·罗氏有限公司 | 2021-09-03 | — | — | CN | claimed |
| US-20210253575-A1 | PYRROLIDINE AMINE COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE | HOFFMANN-LA ROCHE INC. (US) | 2021-08-19 | — | — | US | claimed |
| EP-3847165-A1 | NOVEL PYRROLIDINE AMINE COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE | F. Hoffmann-La Roche AG (CH) | 2021-07-14 | — | — | EP | claimed |
| CN-105566276-B | Benzo-hexatomic ring derivative as DPP-4 inhibitor and application thereof | 华东理工大学 | 2021-01-08 | — | — | CN | claimed |
| EP-3478680-B1 | NOVEL TETRAHYDROPYRIDOPYRIMIDINES FOR THE TREATMENT AND PROPHYLAXIS OF HBV INFECTION | HOFFMANN LA ROCHE (CH) | 2020-04-22 | — | — | EP | claimed |
| US-20190241559-A1 | NOVEL TETRAHYDROPYRIDOPYRIMIDINES FOR THE TREATMENT AND PROPHYLAXIS OF HBV INFECTION | HOFFMANN-LA ROCHE INC. (US) | 2019-08-08 | — | — | US | claimed |
| EP-3478680-A1 | NOVEL TETRAHYDROPYRIDOPYRIMIDINES FOR THE TREATMENT AND PROPHYLAXIS OF HBV INFECTION | H. Hoffnabb-La Roche Ag (CH) | 2019-05-08 | — | — | EP | claimed |
| EP-2872511-B1 | IMIDAZOPYRAZINE DERIVATIVES AS MODULATORS OF TNF ACTIVITY | UCB BIOPHARMA SPRL (BE) | 2019-01-16 | — | — | EP | claimed |
| EP-2872508-B1 | IMIDAZOPYRIDINE DERIVATIVES AS MODULATORS OF TNF ACTIVITY | UCB BIOPHARMA SPRL (BE) | 2018-08-29 | — | — | EP | claimed |
| EP-2858983-B1 | TNF-ALPHA MODULATING BENZIMIDAZOLES | UCB BIOPHARMA SPRL (BE) | 2018-04-18 | — | — | EP | claimed |
| EP-1591443-A1 | PYRAZOLE DERIVATIVE | DAIICHI PHARMACEUTICAL CO., LTD. (JP) | 2005-11-02 | — | — | EP | claimed |
| US-20040229937-A1 | Substituted pyridine derivatives useful in the treatment of cancer and other disorders | BAYER HEALTHCARE LLC | 2004-11-18 | — | — | US | claimed |
| WO-2004078128-A2 | SUBSTITUTED PYRIDINE DERIVATIVES USEFUL IN THE TREATMENT OF CANCER AND OTHER DISORDERS | BAYER PHARMACEUTICALS CORPORATION (US) | 2004-09-16 | — | — | WO | claimed |
| EP-1442039-A1 | PYRIMIDO (4,5-B) INDOLE DERIVATIVES | Bayer HealthCare AG (DE) | 2004-08-04 | — | — | EP | claimed |
| WO-2003037898-A1 | PYRIMIDO [4,5-B] INDOLE DERIVATIVES | BAYER HEALTHCARE AG (DE) | 2003-05-08 | — | — | WO | claimed |
| EP-0449191-B1 | 2-(Substituted pyrrolidinylthio)carbapenem derivatives | BANYU PHARMA CO LTD (JP) | 1996-07-03 | — | — | EP | claimed |
| US-5438054-A | Antibacterial agent | BANYU PHARMACEUTICAL CO., LTD. (JP) | 1995-08-01 | — | — | US | claimed |
| WO-1994024095-A1 | IMMUNOSUPPRESSIVE AGENTS | ABBOTT LABORATORIES (US) | 1994-10-27 | — | — | WO | claimed |
| WO-1991014687-A1 | 2-(SUBSTITUTED PYRROLIDINYLTHIO)CARBAPENEM DERIVATIVES | BANYU PHARMACEUTICAL CO., LTD. (JP) | 1991-10-03 | — | — | WO | claimed |
| EP-0449191-A1 | 2-(Substituted pyrrolidinylthio)carbapenem derivatives | Banyu Pharmaceutical Co., Ltd. (JP) | 1991-10-02 | — | — | EP | claimed |